UCSF

ZINC36157047

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 Yes

Popular Name: 2-[[[(2S)-3-allyloxy-2-hydroxy-propyl]-cyclohexyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno 2-[[[(2S)-3-allyloxy-2-hydroxy-p…

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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) 3.72 8.71 -54.3 3 6 1 80 432.61 9 ↓
Hi High (pH 8-9.5) 4.18 6.26 -51.72 2 6 0 83 431.602 9 ↓
Hi High (pH 8-9.5) 3.72 6.82 -15.08 2 6 0 78 431.602 9 ↓

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