UCSF

ZINC43425374

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 3.13 5.56 -6.54 0 3 0 36 248.37 1
Mid Mid (pH 6-8) 3.13 6.65 -37.84 1 3 1 37 249.378 1

Activity (Go SEA)

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