UCSF

ZINC20070805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 1.24 4.27 -112.74 4 4 2 50 227.352 5
Hi High (pH 8-9.5) 1.24 0.58 -8.4 2 4 0 44 225.336 5
Hi High (pH 8-9.5) 1.24 1.86 -42.63 3 4 1 49 226.344 5
Mid Mid (pH 6-8) 1.24 3 -44.32 3 4 1 46 226.344 5

Activity (Go SEA)

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