UCSF

ZINC28776294

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 23 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) 1.88 3.58 -13.98 2 5 0 75 340.351 5
Mid Mid (pH 6-8) 1.88 3.65 -40.68 1 5 -1 77 339.343 5

Activity (Go SEA)

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