UCSF

ZINC34532031

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 Yes

Popular Name: 4-(3,4-Difluoro-phenyl)-6-methoxymethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylicacidmethylester 4-(3,4-Difluoro-phenyl)-6-methox…

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CAS Number: 192574-28-0

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) 1.86 3.72 -9.75 2 6 0 77 312.272 5 ↓

Vendor Notes

Note Type Comments Provided By
mp 75 - 76 MolMall (formerly Molecular Diversity Preservation International)
mp 98 MolMall (formerly Molecular Diversity Preservation International)
PUBCHEM_PATENT_ID EP0998285A1; EP1003511A1; EP1003512A1; EP1003734A2; EP1019052A1; EP1023068A1; US6037354; US6080760; US6143750; WO1998057638A1; WO1998057639A1; WO1998057640A1; WO1998057641A1; WO1998057642A1; WO1999007695A2; WO1999048530A1; WO2000037026A1 IBM Patent Data
PUBCHEM_PATENT_ID EP1003734A2; WO1999007695A2 IBM Patent Data

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