UCSF

ZINC20070891

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 2.68 7.18 -115.44 4 4 2 50 340.265 4
Hi High (pH 8-9.5) 2.68 3.58 -7.02 2 4 0 44 338.249 4
Hi High (pH 8-9.5) 2.68 4.76 -44.25 3 4 1 49 339.257 4
Mid Mid (pH 6-8) 2.68 6.01 -39.45 3 4 1 46 339.257 4

Activity (Go SEA)

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