UCSF

ZINC03195268

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 16 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) 3.01 5.72 -8.23 0 3 0 37 241.356 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0710887A1; EP0710887B1; EP0724197A1; EP0724197B1; EP0726497A3; EP0726498A1; EP0726498B1; EP0822447B1; EP0860741A1; EP0922570A2; EP0924570A1; EP0938972A1; EP0945264A1; EP0949540A1; EP0980754A1; EP0985683A1; EP1031414A1; EP1035435A2; EP1038668A2; EP103866 IBM Patent Data

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