UCSF

ZINC51889445

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 13 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) 1.87 6.46 -94.51 3 2 2 21 184.327 5
Mid Mid (pH 6-8) 1.87 3.84 -37.72 2 2 1 20 183.319 5

Activity (Go SEA)

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