UCSF

ZINC44725140

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 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) -0.55 0.2 -40.54 3 6 1 73 249.331 11
Hi High (pH 8-9.5) -0.55 -1.22 -10.53 2 6 0 69 248.323 11

Activity (Go SEA)

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