UCSF

ZINC12564228

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 20 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) 2.86 11.87 -36.52 1 4 1 35 273.404 3
Mid Mid (pH 6-8) 2.86 12.31 -92.22 2 4 2 36 274.412 3

Activity (Go SEA)

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