UCSF

ZINC06255948

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 24 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) -1.72 1.11 -65.39 5 9 0 144 342.396 9
Hi High (pH 8-9.5) -1.72 -0.15 -44.71 4 9 -1 139 341.388 9

Activity (Go SEA)

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