UCSF

ZINC20899267

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 34 No

Popular Name: 3-butyl-5-[(2S)-2-(2,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-2-thioxo-1H-p 3-butyl-5-[(2S)-2-(2,4-dimethoxy…

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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) 2.29 8.9 -65.09 1 7 -1 96 496.634 7 ↓
Hi High (pH 8-9.5) 4.57 10.38 -43.28 2 7 -1 91 496.634 7 ↓
Mid Mid (pH 6-8) 4.23 10.42 -18.67 2 7 0 85 497.642 6 ↓
Lo Low (pH 4.5-6) 5.20 8.75 -64.08 0 7 -1 95 496.634 7 ↓

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