UCSF

ZINC37826891

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.62 4.83 -96.09 4 5 2 62 273.421 7
Mid Mid (pH 6-8) 0.62 4.52 -36.32 3 5 1 60 272.413 7

Activity (Go SEA)

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