UCSF

Default (Public by leoyin7933) Default Purchasability Report

ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13641693
13641693

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) 2.96 -3.64 -53.08 3 9 1 109 448.551 5
Lo Low (pH 4.5-6) 2.96 -3.72 -102.89 4 9 2 110 449.559 5

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 3 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) 3.94 14.75 -45.57 2 8 1 76 507.613 7
Hi High (pH 8-9.5) 3.94 12.47 -14.41 1 8 0 75 506.605 7
Lo Low (pH 4.5-6) 3.94 15.18 -71.17 3 8 2 77 508.621 7

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

And 11 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) 2.68 11.55 -57.69 3 9 1 96 435.556 5
Hi High (pH 8-9.5) 2.68 10.26 -15.84 2 9 0 91 434.548 5
Lo Low (pH 4.5-6) 2.68 11.46 -103.62 4 9 2 97 436.564 5