UCSF

ZINC39547922

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 31 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) 3.96 7.98 -21.05 2 6 0 88 439.581 9
Lo Low (pH 4.5-6) 3.96 8.07 -46.67 3 6 1 89 440.589 9

Activity (Go SEA)

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