UCSF

ZINC20302795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.68 7.7 -40.82 1 4 1 34 277.388 6
Mid Mid (pH 6-8) 2.68 7.71 -44.74 1 4 1 34 277.388 6
Mid Mid (pH 6-8) 2.68 5.32 -5.68 0 4 0 33 276.38 6

Activity (Go SEA)

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