UCSF

ZINC36156746

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 Yes

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

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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) 3.45 8.14 -53.62 3 6 1 80 420.599 8 ↓
Hi High (pH 8-9.5) 3.91 5.7 -51.06 2 6 0 83 419.591 8 ↓
Hi High (pH 8-9.5) 3.45 6.25 -14.75 2 6 0 78 419.591 8 ↓

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