UCSF

ZINC05883390

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 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) 3.69 6.35 -6.96 1 3 0 46 226.345 5
Mid Mid (pH 6-8) 3.69 6.64 -30.42 2 3 1 47 227.353 5

Activity (Go SEA)

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