UCSF

ZINC42420188

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 17 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) -0.73 4.18 -81.25 3 6 0 89 243.307 4
Mid Mid (pH 6-8) -0.73 2.94 -54.58 2 6 -1 84 242.299 4

Activity (Go SEA)

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