UCSF

ZINC45628463

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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) 1.30 4.79 -6.52 2 3 0 52 193.246 6
Mid Mid (pH 6-8) 1.30 5.19 -46.48 3 3 1 54 194.254 6

Activity (Go SEA)

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