UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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) 3.41 8.03 -9.4 1 5 0 55 352.434 2

Analogs

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) 4.85 9.27 -0.48 0 0 0 0 204.357 0

Analogs

1280287
1280287
1280288
1280288
1280289
1280289
1280290
1280290
3946345
3946345

Draw Identity 99% 90% 80% 70%

Vendors

And 16 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) 1.36 -2.19 -12.25 6 7 0 138 480.642 5
Ref Reference (pH 7) 1.36 -1.9 -11.75 6 7 0 138 480.642 5

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 9 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) 0.48 2.35 -11.66 1 4 0 55 202.213 0
Ref Reference (pH 7) 0.48 2.35 -11.88 1 4 0 55 202.213 0

Analogs

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) 1.74 0.43 -10.02 3 6 0 96 302.282 2
Hi High (pH 8-9.5) 1.74 1.42 -49.9 2 6 -1 99 301.274 2
Hi High (pH 8-9.5) 1.74 1.09 -51.12 2 6 -1 99 301.274 2

Analogs

384061
384061
12410430
12410430
39291564
39291564

Draw Identity 99% 90% 80% 70%

Vendors

And 7 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) 2.91 2.32 -37.95 1 3 1 31 246.33 3

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 2 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) 3.50 9.18 -46.23 1 3 1 23 280.347 0
Mid Mid (pH 6-8) 3.50 6.83 -7.69 0 3 0 22 279.339 0

Analogs

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) 1.50 4.26 -48.19 0 4 -1 59 181.167 3

Analogs

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) 3.95 8.79 -48.03 2 3 1 34 296.39 4

Analogs

33831555
33831555

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) 4.67 10.86 -53.01 0 3 -1 53 315.433 4
Mid Mid (pH 6-8) 4.67 9.03 -7.28 1 3 0 50 316.441 4

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 64 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) 1.43 6.59 -56.84 0 4 -1 66 179.151 3

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 64 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) 0.88 0.14 -48.46 2 4 -1 81 153.113 1

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 69 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) 1.37 0.24 -50.82 2 4 -1 81 153.113 1

Analogs

4482687
4482687

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) 0.94 1.43 -49.59 2 4 -1 81 179.151 2

Analogs

43510608
43510608

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) 3.14 5.33 -54.39 2 4 -1 81 335.464 6

Analogs

4098855
4098855

Draw Identity 99% 90% 80% 70%

Vendors

And 30 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) 1.04 3.34 -26.34 2 3 1 37 189.238 0
Ref Reference (pH 7) 1.04 3.34 -26.08 2 3 1 37 189.238 0
Hi High (pH 8-9.5) 1.04 2.91 -8.05 1 3 0 36 188.23 0

Analogs

12466871
12466871
12466998
12466998
12503096
12503096
16036549
16036549
44135881
44135881

Draw Identity 99% 90% 80% 70%

Vendors

And 55 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) 1.77 -0.01 -37.55 2 4 1 50 290.383 5

Analogs

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) 1.79 4.48 -42.27 3 3 1 40 205.281 3

Analogs

733
733

Draw Identity 99% 90% 80% 70%

Vendors

And 80 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) 0.43 -0.72 -42.44 4 3 1 57 168.216 3
Hi High (pH 8-9.5) 0.43 -2.17 -5.01 3 3 0 52 167.208 3

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 2 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) 5.55 10.27 -54.71 2 4 -1 81 471.702 2
Lo Low (pH 4.5-6) 5.55 8.29 -7.67 3 4 0 78 472.71 2

Analogs

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) 5.49 12 -107.45 1 5 -2 100 484.677 2
Mid Mid (pH 6-8) 5.49 10.31 -48.34 2 5 -1 98 485.685 2
Lo Low (pH 4.5-6) 5.49 8.55 -6.69 3 5 0 95 486.693 2

Analogs

1531036
1531036
1531045
1531045
1531046
1531046
1593115
1593115
1845728
1845728

Draw Identity 99% 90% 80% 70%

Vendors

And 13 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) 6.05 10.51 -44.91 0 2 -1 40 227.368 12

Analogs

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) -0.15 2.5 -104.02 0 4 -2 80 130.099 4

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 26 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) 7.06 2.36 -44.91 0 2 -1 40 255.422 14

Analogs

1529229
1529229

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) 8.45 14.36 -44.86 0 2 -1 40 297.503 17
Lo Low (pH 4.5-6) 8.45 13.24 -6.37 1 2 0 37 298.511 17

Analogs

4262019
4262019
4284502
4284502
5178630
5178630
5178634
5178634
5287109
5287109

Draw Identity 99% 90% 80% 70%

Vendors

And 12 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) 5.04 8.95 -44.96 0 2 -1 40 199.314 10

Analogs

1531036
1531036
1531045
1531045
1531046
1531046
1593115
1593115
1845728
1845728

Draw Identity 99% 90% 80% 70%

Vendors

And 15 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) 3.02 5.83 -45.04 0 2 -1 40 143.206 6

Analogs

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) 5.81 2.72 -0.8 0 0 0 0 204.357 1

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 50 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) 0.99 -0.44 -6.18 2 2 0 40 110.112 0

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 53 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) 0.06 4.9 -11.47 0 6 0 62 194.194 0

Analogs

4096340
4096340
4095719
4095719

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) 1.52 1.61 -7.75 2 3 0 58 224.3 2

Analogs

4096945
4096945
4096947
4096947
6484599
6484599

Draw Identity 99% 90% 80% 70%

Vendors

And 48 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) 0.71 -3.79 -12.73 5 7 0 127 304.254 1
Ref Reference (pH 7) 0.71 -4.14 -13.36 5 7 0 127 304.254 1
Hi High (pH 8-9.5) 0.71 -3.14 -52.96 4 7 -1 130 303.246 1

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 7 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) 2.20 0.17 -23.17 4 6 0 111 286.239 1
Hi High (pH 8-9.5) 2.20 0.76 -57.58 3 6 -1 114 285.231 1
Hi High (pH 8-9.5) 2.20 0.98 -57.28 3 6 -1 114 285.231 1

Analogs

1561069
1561069
2146973
2146973
1785
1785

Draw Identity 99% 90% 80% 70%

Vendors

And 13 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) 2.65 3.02 -9.8 2 5 0 76 286.283 2
Hi High (pH 8-9.5) 2.65 4.02 -51.43 1 5 -1 79 285.275 2

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 87 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) 1.68 -2.9 -13.58 5 7 0 131 302.238 1
Mid Mid (pH 6-8) 1.94 -2.61 -43.8 4 7 -1 134 301.23 1

Analogs

9212394
9212394

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) 5.67 12.78 -16.52 1 4 0 64 464.646 2
Ref Reference (pH 7) 6.18 10.75 -10.5 2 4 0 67 464.646 2

Analogs

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) 4.42 2.6 -13.3 4 6 0 111 354.358 3

Analogs

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) 2.77 3.79 -14.2 2 7 0 98 344.319 4

Analogs

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) 4.13 8.11 -8.95 1 2 0 29 246.313 0
Lo Low (pH 4.5-6) 4.13 8.53 -34.02 2 2 1 30 247.321 0

Analogs

519174
519174
2146973
2146973
4935
4935

Draw Identity 99% 90% 80% 70%

Vendors

And 60 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) 2.12 0.88 -10.44 3 5 0 87 272.256 1
Hi High (pH 8-9.5) 2.12 1.87 -51.65 2 5 -1 90 271.248 1

Analogs

2162335
2162335

Draw Identity 99% 90% 80% 70%

Vendors

And 5 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) 2.57 -0.72 -2.39 1 1 0 20 166.264 2

Analogs

4081458
4081458
4081461
4081461
4831196
4831196
4831197
4831197
4831198
4831198

Draw Identity 99% 90% 80% 70%

Vendors

And 16 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) 8.29 12.28 -1.03 1 1 0 20 426.729 1

Analogs

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) 3.30 -0.17 -14.48 0 4 0 48 275.263 0

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 31 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) 2.17 -0.82 -11.52 4 6 0 111 286.239 1
Mid Mid (pH 6-8) 2.43 -0.55 -41.88 3 6 -1 114 285.231 1

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 32 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) 1.14 0.24 -9.28 2 4 0 67 168.148 2

Analogs

13298263
13298263
13298264
13298264
16991692
16991692
3978351
3978351
3978350
3978350

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) 7.85 14.3 -3.64 0 1 0 17 426.729 0

Analogs

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) 1.27 1.35 -14.8 2 5 0 80 208.169 1

Analogs

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) 2.53 -2.24 -14.57 3 7 0 109 330.292 3

Analogs

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) 4.47 -2.43 -7.81 2 4 0 58 324.376 2

Analogs

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) 2.57 2.62 -12.14 2 5 0 80 284.267 2

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = uefsnp
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 'uefsnp' 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