UCSF

ZINC40117619

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 24 No

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) 3.38 6.67 -53.04 1 4 -1 69 403.277 4
Lo Low (pH 4.5-6) 3.38 5.9 -12.94 2 4 0 66 404.285 4

Activity (Go SEA)

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