UCSF

ZINC20899341

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 30 No

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

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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) 2.37 7.67 -20.48 2 9 0 130 424.438 2 ↓
Hi High (pH 8-9.5) 2.71 7.66 -36.54 2 9 -1 136 423.43 3 ↓

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