UCSF

ZINC53664639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.32 7.67 -46.29 2 4 1 46 235.355 5
Mid Mid (pH 6-8) 1.32 8.17 -85.17 3 4 2 47 236.363 5

Activity (Go SEA)

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