UCSF

ZINC15781966

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 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) 0.39 4.72 -8.47 0 3 0 46 176.219 5
Lo Low (pH 4.5-6) 0.39 5 -36.7 1 3 1 47 177.227 5

Activity (Go SEA)

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