UCSF

ZINC20899263

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Substance Information

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

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

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Vendors

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) 2.68 10.43 -62.19 1 6 -1 87 480.635 7 ↓
Hi High (pH 8-9.5) 4.96 11.93 -39.31 2 6 -1 82 480.635 7 ↓
Mid Mid (pH 6-8) 4.62 11.95 -17.63 2 6 0 76 481.643 6 ↓
Lo Low (pH 4.5-6) 5.60 10.28 -59.43 0 6 -1 86 480.635 7 ↓

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