UCSF

ZINC39273048

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 36 No

Popular Name: (2S)-2-[[(5S)-5-cyano-4-(4-dimethylaminophenyl)-6-oxo-5H-pyrimidin-2-yl]sulfanyl]-N-[(2S,3S)-3-cyano (2S)-2-[[(5S)-5-cyano-4-(4-dimet…

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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) 5.16 9.56 -62.66 1 8 -1 129 519.676 7 ↓
Lo Low (pH 4.5-6) 5.16 10.31 -75.07 2 8 0 130 520.684 7 ↓

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

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