UCSF

ZINC82092694

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2012 34 No

CAS Numbers: 32791-84-7 , [32791-84-7]

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) 6.07 7.4 -4.39 3 4 0 70 476.742 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0334402A1; EP0334402B1; EP0873131A1; US4317816; US4708949; US4795742; US5182373; WO1997018824A1; WO2000002521A2 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.