UCSF

ZINC28650410

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 22 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) 4.61 7.57 -8.8 1 4 0 60 296.322 0
Hi High (pH 8-9.5) 4.61 8.3 -63.67 0 4 -1 63 295.314 0

Activity (Go SEA)

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