UCSF

ZINC57120959

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.22 4.26 -10.21 1 5 0 65 357.378 8
Mid Mid (pH 6-8) 3.22 4.71 -48.57 0 5 -1 67 356.37 8

Activity (Go SEA)

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