UCSF

ZINC51889491

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) 0.81 1.46 -39.47 2 3 1 29 185.291 2
Mid Mid (pH 6-8) 0.81 3.6 -98.65 3 3 2 30 186.299 2

Activity (Go SEA)

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