UCSF

ZINC40468085

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 15 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) 0.47 2.53 -40.88 3 4 1 57 217.333 6
Hi High (pH 8-9.5) 0.47 2.28 -5 2 4 0 56 216.325 6

Activity (Go SEA)

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