UCSF

ZINC59761134

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 15 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) -0.46 2.73 -44.94 2 5 1 54 214.289 3
Mid Mid (pH 6-8) -0.46 0.37 -8.22 1 5 0 53 213.281 3

Activity (Go SEA)

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