UCSF

ZINC00193764

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 No

Popular Name: (4S)-6-methyl-4-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic-acid-isopropyl-ester (4S)-6-methyl-4-(3-nitrophenyl)-…

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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) 3.21 -0.5 -11.82 2 7 0 96 335.385 5 ↓

Vendor Notes

Note Type Comments Provided By
mp 224 - 226 MolMall (formerly Molecular Diversity Preservation International)
PUBCHEM_PATENT_ID EP0237347A2; EP0237347B1; US4855301; US5202330 IBM Patent Data

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