UCSF

ZINC34578739

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 4.77 7.37 -1.77 1 1 0 12 177.291 5
Lo Low (pH 4.5-6) 4.77 6.87 -32.03 2 1 1 17 178.299 5

Activity (Go SEA)

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