UCSF

ZINC38124633

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 10 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) 1.50 0.84 -37.45 4 2 1 48 146.254 6
Hi High (pH 8-9.5) 1.50 0.46 -3.21 3 2 0 46 145.246 6

Activity (Go SEA)

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