UCSF

ZINC00040695

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 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) 0.18 4.74 -14.49 0 4 0 41 218.256 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0277836A1; EP0277836B1; EP0647449A1; EP0714909A1; EP0815870A3; US4873255 IBM Patent Data

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