UCSF

ZINC33809341

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 20 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) 3.07 7.37 -37.18 1 4 1 32 347.273 11
Mid Mid (pH 6-8) 3.07 4.95 -6.46 0 4 0 31 346.265 11

Activity (Go SEA)

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