UCSF

ZINC05176327

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 25 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) 4.97 8.2 -13.22 1 3 0 46 364.289 5
Hi High (pH 8-9.5) 5.42 7.35 -44.54 0 3 -1 49 363.281 5

Activity (Go SEA)

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