UCSF

ZINC45686846

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 2.85 7.13 -48.9 2 4 1 52 288.314 9
Hi High (pH 8-9.5) 2.85 6.04 -8.9 1 4 0 48 287.306 9

Activity (Go SEA)

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