UCSF

ZINC70189741

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 18 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) 1.31 9.7 -155.22 4 4 3 40 253.414 7
Mid Mid (pH 6-8) 1.31 9.18 -100.28 3 4 2 39 252.406 7

Activity (Go SEA)

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