UCSF

ZINC39941417

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 12 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) -0.44 1.19 -42.61 4 2 1 48 229.097 0
Hi High (pH 8-9.5) -0.44 0.89 -4.27 3 2 0 46 228.089 0

Activity (Go SEA)

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