UCSF

ZINC45649545

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 0.05 1.72 -16.65 1 7 0 97 288.325 7
Hi High (pH 8-9.5) 0.50 -0.19 -46.84 0 7 -1 100 287.317 7

Activity (Go SEA)

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