UCSF

ZINC44690409

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 15 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) 0.69 2.02 -24.91 4 5 1 66 213.305 5
Mid Mid (pH 6-8) 0.69 1.89 -6.77 3 5 0 65 212.297 5

Activity (Go SEA)

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