UCSF

ZINC13515580

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 22 No

CAS Numbers: 4372-67-2 , [4372-67-2]

Other Names:

MFCD28016202

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) 0.52 -5.1 -13.56 5 12 0 189 308.258 3
Lo Low (pH 4.5-6) 0.52 -4.86 -35.05 6 12 1 191 309.266 3
Lo Low (pH 4.5-6) 0.52 -9.22 -35.82 6 12 1 191 309.266 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0089283A2; EP0586523A1; EP0646243A1; EP0736105A1; EP0755255A1; US4428931; US4488991; US4990498; US5087565; US5213972; US5272055; US5445937; US5728684; US5763177; US5773424; US5800991; US5965106; US5985565; US6001577; WO1992020816A1; WO1993000444A1; WO19 IBM Patent Data

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