UCSF

ZINC06646126

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 21 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) 3.69 8.85 -81.9 2 3 2 22 279.387 1
Mid Mid (pH 6-8) 3.69 6.38 -24.37 1 3 1 21 278.379 1

Activity (Go SEA)

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