UCSF

ZINC41258722

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.59 4.93 -69.74 1 6 -1 88 231.272 9
Mid Mid (pH 6-8) -0.59 7.39 -108.37 2 6 0 89 232.28 9
Mid Mid (pH 6-8) -0.59 5.31 -98.84 1 6 -1 88 231.272 9

Activity (Go SEA)

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