UCSF

ZINC20899281

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 33 No

Popular Name: 5-[(2R)-2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-butyl-6-hydroxy-2-thioxo-1H- 5-[(2R)-2-(1,3-benzodioxol-5-yl)…

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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) 2.14 8.87 -61.29 1 7 -1 96 480.591 5 ↓
Hi High (pH 8-9.5) 4.42 10.37 -38.98 2 7 -1 91 480.591 5 ↓
Mid Mid (pH 6-8) 4.08 10.38 -19.44 2 7 0 85 481.599 4 ↓
Lo Low (pH 4.5-6) 5.05 8.71 -59.99 0 7 -1 95 480.591 5 ↓

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