UCSF

ZINC40393589

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 37 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.73 12.12 -60.99 2 6 1 57 503.711 8
Lo Low (pH 4.5-6) 3.73 14.98 -153.68 3 6 2 58 504.719 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )