UCSF

ZINC39681099

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 35 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) -0.13 6.28 -69.89 3 9 1 104 479.605 5
Lo Low (pH 4.5-6) -0.13 6.74 -116.85 4 9 2 106 480.613 5
Lo Low (pH 4.5-6) -0.13 7.28 -173.77 5 9 3 107 481.621 5
Lo Low (pH 4.5-6) -0.13 6.82 -118.13 4 9 2 106 480.613 5

Activity (Go SEA)

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