UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34959625
34959625
34959627
34959627
34959629
34959629
34978223
34978223
34978224
34978224

Draw Identity 99% 90% 80% 70%

Vendors

And 22 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 5.23 -1.88 0 1 0 9 154.253 0

Analogs

5843989
5843989
32189073
32189073
44214867
44214867
44214870
44214870

Draw Identity 99% 90% 80% 70%

Vendors

And 90 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.58 1.2 -34.71 5 5 0 104 220.228 3
Hi High (pH 8-9.5) -1.58 0.89 -50.08 4 5 -1 102 219.22 3

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 57 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.18 -0.81 -48.19 3 6 -1 110 218.229 6

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 38 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.18 -0.92 -48.11 3 6 -1 110 218.229 6

Analogs

9212654
9212654
12484958
12484958
22066351
22066351
33943508
33943508
4430042
4430042

Draw Identity 99% 90% 80% 70%

Vendors

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.80 3.39 -52.01 0 2 -1 40 299.434 5

Analogs

12484958
12484958
22066351
22066351
33943508
33943508
4430042
4430042
9212654
9212654

Draw Identity 99% 90% 80% 70%

Vendors

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.80 3.22 -54.89 0 2 -1 40 299.434 5

Analogs

9302201
9302201
12358651
12358651
12484958
12484958
22066351
22066351
33943508
33943508

Draw Identity 99% 90% 80% 70%

Vendors

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.80 3.41 -52.8 0 2 -1 40 299.434 5

Analogs

33943508
33943508
4430042
4430042
3792789
3792789

Draw Identity 99% 90% 80% 70%

Vendors

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.80 11.22 -51.48 0 2 -1 40 299.434 5

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 96 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.27 3.29 -45.83 0 3 -1 53 122.103 1
Lo Low (pH 4.5-6) 0.27 3.74 -46.83 1 3 0 54 123.111 1

Analogs

1529313
1529313

Draw Identity 99% 90% 80% 70%

Vendors

And 97 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.81 -5.19 -36.13 5 5 0 110 132.119 3

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 174 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.24 2.02 -9.53 3 5 0 80 135.13 0

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 106 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.72 2.43 -35.08 2 3 0 57 115.132 1

Analogs

4806450
4806450
4806446
4806446

Draw Identity 99% 90% 80% 70%

Vendors

And 49 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.54 -2.46 -364.46 4 18 -4 290 503.15 8
Ref Reference (pH 7) -3.54 -3.61 -227.01 5 18 -3 288 504.158 8
Mid Mid (pH 6-8) -3.54 -3.61 -227.24 5 18 -3 288 504.158 8

Analogs

1532129
1532129

Draw Identity 99% 90% 80% 70%

Vendors

And 54 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.55 4.37 -37.85 4 7 0 123 294.307 8
Hi High (pH 8-9.5) -0.55 4.05 -50.28 3 7 -1 122 293.299 8

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 71 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.41 2.19 -37.86 3 3 0 68 131.175 3

Analogs

1544807
1544807
22060223
22060223
22060226
22060226

Draw Identity 99% 90% 80% 70%

Vendors

And 75 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 8.46 -48.23 0 2 -1 40 205.324 5
Lo Low (pH 4.5-6) 2.25 6.48 -10.28 1 2 0 37 206.332 5

Analogs

22060223
22060223
22060226
22060226
1532729
1532729

Draw Identity 99% 90% 80% 70%

Vendors

And 86 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 8.4 -47.34 0 2 -1 40 205.324 5
Lo Low (pH 4.5-6) 2.25 6.42 -9.4 1 2 0 37 206.332 5

Analogs

164935
164935

Draw Identity 99% 90% 80% 70%

Vendors

And 91 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.91 -1.67 -41.78 3 3 0 67 117.148 2

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 106 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.69 0.21 -39.21 3 3 0 68 89.094 1
Hi High (pH 8-9.5) -2.69 -0.11 -43.06 2 3 -1 66 88.086 1

Analogs

5447613
5447613
13507111
13507111
13507113
13507113
28342223
28342223

Draw Identity 99% 90% 80% 70%

Vendors

And 10 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.40 14.61 -44.22 0 2 -1 40 301.45 13
Lo Low (pH 4.5-6) 5.40 12.63 -6.05 1 2 0 37 302.458 13

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 63 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.37 4.29 -128.65 5 13 -2 219 439.388 9
Hi High (pH 8-9.5) -1.91 2.11 -174.25 4 13 -3 222 438.38 9
Lo Low (pH 4.5-6) -2.37 2.32 -71.85 6 13 -1 216 440.396 9

Analogs

2389623
2389623

Draw Identity 99% 90% 80% 70%

Vendors

And 82 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.30 -2.11 -39.77 4 4 0 88 119.12 2
Hi High (pH 8-9.5) -3.30 -2.39 -45.14 3 4 -1 86 118.112 2

Analogs

2166829
2166829

Draw Identity 99% 90% 80% 70%

Vendors

And 67 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.43 -2.65 -49.6 6 6 0 123 175.188 5
Hi High (pH 8-9.5) 3.07 5.73 -3.36 0 1 0 12 175.275 1

Analogs

4543724
4543724
4543732
4543732
4544257
4544257
5510396
5510396
8860490
8860490

Draw Identity 99% 90% 80% 70%

Vendors

And 1 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.14 15.22 -43.69 0 2 -1 40 305.482 15
Lo Low (pH 4.5-6) 7.14 13.24 -5.49 1 2 0 37 306.49 15

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 128 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.71 -3.15 -36.35 3 3 0 67 121.161 2
Hi High (pH 8-9.5) -2.71 -4.11 -53.68 3 3 -1 67 120.153 2

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 93 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.08 4.08 -32.56 4 4 0 84 204.229 3
Hi High (pH 8-9.5) -1.08 3.78 -48.1 3 4 -1 82 203.221 3

Analogs

388396
388396

Draw Identity 99% 90% 80% 70%

Vendors

And 97 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.38 2.28 -37.79 3 3 0 68 131.175 3

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 54 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.25 -1.63 -41.1 4 5 0 94 131.135 3

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 143 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.55 -0.44 -40.12 3 3 0 68 75.067 1
Hi High (pH 8-9.5) -2.55 -0.82 -42.26 2 3 -1 66 74.059 1

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 54 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.97 -0.38 -79.69 5 9 -1 166 306.32 9
Hi High (pH 8-9.5) -4.97 -0.7 -93.89 4 9 -2 164 305.312 9
Hi High (pH 8-9.5) 2.30 6.24 -93.26 7 7 2 113 440.498 4

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 147 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.25 1.74 -73.91 3 5 -1 108 146.122 4

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 71 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.65 3.54 -101.06 0 4 -2 80 116.072 3
Mid Mid (pH 6-8) -0.65 1.56 -42.51 1 4 -1 77 117.08 3

Analogs

1529198
1529198

Draw Identity 99% 90% 80% 70%

Vendors

And 96 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.86 2.26 -62.06 6 6 0 136 240.306 7
Hi High (pH 8-9.5) -4.86 1.97 -65.23 5 6 -1 134 239.298 7
Hi High (pH 8-9.5) -4.86 1.67 -91.3 4 6 -2 132 238.29 7

Analogs

2234
2234

Draw Identity 99% 90% 80% 70%

Vendors

And 115 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.71 1.17 -36.43 4 4 0 88 181.191 3

Analogs

1532766
1532766

Draw Identity 99% 90% 80% 70%

Vendors

And 99 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.24 2.24 -40.54 3 3 0 68 149.215 4
Hi High (pH 8-9.5) -2.24 1.91 -44.84 2 3 -1 66 148.207 4

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 93 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.67 -3.07 -34.14 4 4 0 88 105.093 2
Hi High (pH 8-9.5) -3.67 -3.4 -42.43 3 4 -1 86 104.085 2

Analogs

4474613
4474613
4521470
4521470
4543724
4543724
4544257
4544257
8860490
8860490

Draw Identity 99% 90% 80% 70%

Vendors

And 18 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.84 13.66 -43.79 0 2 -1 40 277.428 13
Lo Low (pH 4.5-6) 5.84 11.68 -5.61 1 2 0 37 278.436 13

Analogs

3977897
3977897
4806442
4806442
1532515
1532515
3201889
3201889

Draw Identity 99% 90% 80% 70%

Vendors

And 59 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.52 -2.18 -140.94 4 12 -2 192 345.208 4
Mid Mid (pH 6-8) -1.52 -3.34 -50.9 5 12 -1 189 346.216 4

Analogs

1532609
1532609

Draw Identity 99% 90% 80% 70%

Vendors

And 85 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.76 -2.13 -50.63 5 5 0 111 146.146 4
Hi High (pH 8-9.5) -3.76 -2.45 -53.15 4 5 -1 109 145.138 4

Analogs

1532678
1532678

Draw Identity 99% 90% 80% 70%

Vendors

And 129 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.69 -0.84 -89.95 6 4 1 95 133.171 4
Hi High (pH 8-9.5) -3.69 -1.15 -65.17 5 4 0 94 132.163 4

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 138 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.52 1 -52.73 3 5 -1 108 132.095 3
Lo Low (pH 4.5-6) -3.52 -1.01 -32.41 4 5 0 105 133.103 3

Analogs

1532612
1532612

Draw Identity 99% 90% 80% 70%

Vendors

And 37 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.13 0.14 -262.68 10 4 4 88 206.378 11
Hi High (pH 8-9.5) -2.13 -0.62 -97.52 8 4 2 85 204.362 11
Hi High (pH 8-9.5) -2.13 -1.59 -88.23 8 4 2 82 204.362 11

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 79 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.12 -5.47 -13.37 2 6 0 107 175.116 2
Hi High (pH 8-9.5) -4.12 -4.62 -15.59 2 6 0 107 175.116 2
Hi High (pH 8-9.5) -0.93 -8.02 -141.02 3 6 -2 120 174.108 2

Analogs

1532749
1532749

Draw Identity 99% 90% 80% 70%

Vendors

And 163 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.63 0.33 -74.97 8 6 1 131 175.212 6
Hi High (pH 8-9.5) 3.64 10.11 -7.64 0 2 0 20 328.209 1

Analogs

1532731
1532731

Draw Identity 99% 90% 80% 70%

Vendors

And 168 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.18 -0.05 -85.42 6 4 1 95 147.198 5

Analogs

5192442
5192442
5192451
5192451
1532548
1532548

Draw Identity 99% 90% 80% 70%

Vendors

And 75 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.76 3.51 -56.36 2 5 -1 81 243.308 5
Lo Low (pH 4.5-6) 0.76 1.53 -16.74 3 5 0 78 244.316 5

Analogs

39643233
39643233
39643234
39643234
1927
1927

Draw Identity 99% 90% 80% 70%

Vendors

And 117 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.23 4.02 -34.63 3 3 0 68 165.192 3

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 71 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.90 2.73 -41.42 0 3 -1 57 87.054 1

Analogs

12371978
12371978
12371979
12371979
12371980
12371980
13522357
13522357
33821030
33821030

Draw Identity 99% 90% 80% 70%

Vendors

And 44 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.01 0.79 -51.2 7 11 0 187 399.453 7
Hi High (pH 8-9.5) -5.01 0.49 -69.43 6 11 0 185 398.445 7
Hi High (pH 8-9.5) 2.62 5.08 -1.97 0 0 0 0 126.139 0

Analogs

6661404
6661404
18274816
18274816
19014871
19014871
34448986
34448986
34448988
34448988

Draw Identity 99% 90% 80% 70%

Vendors

And 128 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.00 1.48 -37.85 4 5 0 96 155.157 3
Lo Low (pH 4.5-6) -3.00 1.96 -79.54 5 5 1 98 156.165 3

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = dbnu
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.short_name LIKE 'dbnu' AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

Permalink

Embed Link to Results