UCSF

ZINC20075304

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 14 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) -0.22 1.11 -46.94 3 4 1 49 197.306 4
Lo Low (pH 4.5-6) -0.22 3.34 -122.87 4 4 2 50 198.314 4

Activity (Go SEA)

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