UCSF

ZINC21981309

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) -0.43 6.91 -82.85 2 7 -1 117 339.412 7
Hi High (pH 8-9.5) -0.43 5.85 -141.6 1 7 -2 113 338.404 7

Activity (Go SEA)

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