UCSF

ZINC39265244

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 31 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) 4.95 11.1 -11.81 0 5 0 46 469.916 6
Mid Mid (pH 6-8) 4.95 13.33 -41.38 1 5 1 47 470.924 6

Activity (Go SEA)

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