UCSF

ZINC40439628

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 18 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) -3.87 -3.57 -110.87 9 8 1 168 261.302 9
Hi High (pH 8-9.5) -3.87 -3.9 -80 8 8 0 166 260.294 9

Activity (Go SEA)

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