UCSF

ZINC00078634

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: (4R)-4-(4-chlorophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic-acid-methyl-ester (4R)-4-(4-chlorophenyl)-2-keto-6…

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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) 2.67 5.01 -8.03 2 5 0 67 280.711 3 ↓
Lo Low (pH 4.5-6) 1.55 2.45 -7.95 2 5 0 79 280.711 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 171 - 172.5 MolMall (formerly Molecular Diversity Preservation International)

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Analogs ( Draw Identity 99% 90% 80% 70% )