UCSF

ZINC07461405

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 20 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) 2.52 5.85 -40.41 3 4 1 57 279.404 8
Hi High (pH 8-9.5) 2.52 4.01 -11.3 2 4 0 56 278.396 8

Activity (Go SEA)

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