UCSF

ZINC08613125

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2007 20 Yes

CAS Number: 118-00-3

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) -2.02 -12.88 -27.35 6 10 0 159 283.244 2

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 250? dec. Alfa-Aesar
Melting_Point ca 250° dec. Alfa-Aesar
PUBCHEM_PATENT_ID EP0453597B1; EP0464112A1; EP0464112B1; EP0651759A1; EP0672122A1; EP0673783A2; EP0673783B1; EP0743573A3; EP0743573B1; EP0743574A3; EP0743574B1; EP0827960A1; EP0832211A1; EP0832214A2; EP0832214B1; EP0833902A2; EP0886641A2; EP0896629A1; EP0934331A2; EP096177 IBM Patent Data

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