UCSF

ZINC06285530

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 26 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) 3.50 8.37 -39.46 3 5 1 64 357.474 11
Mid Mid (pH 6-8) 3.50 7.36 -8.64 2 5 0 60 356.466 11

Activity (Go SEA)

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