UCSF

ZINC40923981

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 16 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) -0.28 -0.94 -41.29 5 5 1 91 228.316 2
Hi High (pH 8-9.5) -0.28 -0.52 -10.4 4 5 0 89 227.308 2

Activity (Go SEA)

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