UCSF

ZINC40452356

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 18 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) 0.36 3.74 -48.58 3 5 1 66 250.322 3
Hi High (pH 8-9.5) 0.42 1.64 -38.85 2 5 0 73 249.314 3

Activity (Go SEA)

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