UCSF

ZINC20899289

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 32 No

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

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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) 2.26 9.78 -65.97 1 6 -1 87 466.608 6 ↓
Hi High (pH 8-9.5) 4.54 11.26 -43.1 2 6 -1 82 466.608 6 ↓
Mid Mid (pH 6-8) 4.20 11.29 -16.78 2 6 0 76 467.616 5 ↓
Lo Low (pH 4.5-6) 5.17 9.62 -64.08 0 6 -1 86 466.608 6 ↓

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