UCSF

ZINC49551812

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 31 Yes

Popular Name: (5S)-1-benzyl-N-(2-methoxyphenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (5S)-1-benzyl-N-(2-methoxyphenyl…

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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) 1.31 3.68 -19.58 3 9 0 126 420.425 5 ↓
Ref Reference (pH 7) 1.76 5.4 -38.9 2 9 -1 129 419.417 5 ↓
Hi High (pH 8-9.5) 1.77 0.95 -67.31 2 9 -1 129 419.417 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.