UCSF

ZINC39126352

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) -1.83 -0.63 -110.1 6 4 2 73 187.287 3
Hi High (pH 8-9.5) -1.83 -0.95 -44.96 5 4 1 72 186.279 3

Activity (Go SEA)

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