UCSF

ZINC06155030

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2006 17 No

Popular Name: ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate ethyl 5-oxo-1-phenyl-4,5-dihydro…

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CAS Numbers: 89-33-8 , [89-33-8]

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) 1.55 5.92 -8.86 1 5 0 64 232.239 4 ↓
Ref Reference (pH 7) 1.64 6.05 -7.55 0 5 0 59 232.239 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0370198A1; EP0417555A1; EP0417555B1; US5118814; US5138070 IBM Patent Data
PUBCHEM_PATENT_ID US4008213; US4010151 IBM Patent Data
PUBCHEM_PATENT_ID US4837335 IBM Patent Data

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