UCSF

ZINC39267577

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 4.33 9.7 -12.79 4 8 0 105 424.549 5
Lo Low (pH 4.5-6) 4.33 10.1 -39.17 5 8 1 107 425.557 5

Activity (Go SEA)

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