UCSF

ZINC34550122

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 No

Popular Name: (5R,6S)-2-methylsulfanyl-4,7-dioxo-5-phenyl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile (5R,6S)-2-methylsulfanyl-4,7-dio…

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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) 2.60 3.24 -40.82 1 6 -1 105 311.346 2 ↓
Hi High (pH 8-9.5) 2.60 2.16 -104.1 0 6 -2 103 310.338 2 ↓
Lo Low (pH 4.5-6) 2.60 3.67 -32.6 2 6 0 106 312.354 2 ↓

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