UCSF

ZINC20244967

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 0.89 2.49 -52.54 1 6 -1 102 249.293 4
Mid Mid (pH 6-8) -0.04 1.87 -101.46 0 6 -2 101 248.285 5

Activity (Go SEA)

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