UCSF

ZINC40462164

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 0.54 3.92 -10.64 0 4 0 36 233.315 3
Mid Mid (pH 6-8) 0.54 6.14 -52.18 1 4 1 38 234.323 3

Activity (Go SEA)

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