UCSF

ZINC05307246

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 9 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.97 -3.91 -9.17 3 4 0 72 130.147 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0476760A2; EP0476760A3; EP0757682A1; US5238909; US5858995; WO1996034866A1 IBM Patent Data

Activity (Go SEA)

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