UCSF

ZINC04677199

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2005 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) 1.20 3.68 -45.84 3 4 1 59 245.302 5
Lo Low (pH 4.5-6) 1.20 3.96 -105.89 4 4 2 60 246.31 5

Activity (Go SEA)

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