UCSF

ZINC04910526

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 31 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) 3.54 1.02 -17.66 0 6 0 56 419.525 10
Mid Mid (pH 6-8) 3.54 1.2 -43.72 1 6 1 57 420.533 10

Activity (Go SEA)

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