UCSF

ZINC39264738

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 30 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) 6.48 13.91 -14.74 3 6 0 79 403.53 10
Lo Low (pH 4.5-6) 6.48 13.54 -37.18 4 6 1 80 404.538 10

Activity (Go SEA)

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