UCSF

ZINC34033425

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 27 No

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) 3.60 10.76 -12.5 1 5 0 60 355.397 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0397060A2; EP0888339A1; US5380746; US5516915; US5859261; US5919946; US6037475; WO1997034890A1; WO1998011103A1 IBM Patent Data

Activity (Go SEA)

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