UCSF

ZINC08782777

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 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) 4.32 0.5 -5.79 0 1 0 12 226.106 0
Lo Low (pH 4.5-6) 4.32 0.61 -24.65 1 1 1 14 227.114 0

Activity (Go SEA)

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