UCSF

ZINC57363664

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 18 No

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) 0.49 1.71 -40.44 5 5 1 83 250.322 3
Mid Mid (pH 6-8) 0.49 1.05 -8.55 4 5 0 82 249.314 3

Activity (Go SEA)

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