UCSF

ZINC05011167

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 15 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) 2.90 5.44 -23.9 3 2 1 40 195.245 0
Mid Mid (pH 6-8) 2.90 5.06 -10.21 2 2 0 39 194.237 0

Activity (Go SEA)

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