UCSF

ZINC39386037

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 9 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) 0.24 0.55 -114.48 6 2 2 55 132.251 5
Mid Mid (pH 6-8) 0.24 0.92 -34.47 5 2 1 54 131.243 5

Activity (Go SEA)

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