UCSF

ZINC05272673

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 24 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) 0.01 2.2 -16.68 1 7 0 96 345.38 5
Lo Low (pH 4.5-6) 0.01 2.48 -46.45 2 7 1 98 346.388 5

Activity (Go SEA)

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