UCSF

ZINC20899356

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 No

Popular Name: 6-hydroxy-3-methyl-5-[(2S)-2-(3-pyridyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1H-pyrimidine-2,4-dion 6-hydroxy-3-methyl-5-[(2S)-2-(3-…

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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) 1.17 5.21 -18.13 2 7 0 97 380.429 1 ↓
Hi High (pH 8-9.5) 1.51 5.2 -41.49 2 7 -1 103 379.421 2 ↓

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