UCSF

ZINC48470484

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 20 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) 2.31 8.15 -40.72 3 5 1 60 273.36 6
Mid Mid (pH 6-8) 2.31 7.64 -13.76 2 5 0 59 272.352 6

Activity (Go SEA)

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