UCSF

ZINC20126947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.48 1.23 -44.01 3 4 1 49 249.334 4
Hi High (pH 8-9.5) 1.48 2.02 -65.07 2 4 0 52 248.326 4
Mid Mid (pH 6-8) 1.48 2.45 -40.57 3 4 1 46 249.334 4
Lo Low (pH 4.5-6) 1.48 3.79 -122.39 4 4 2 51 250.342 4

Activity (Go SEA)

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