UCSF

ZINC36156548

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Substance Information

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

Popular Name: 2-[[[(2S)-3-tert-butoxy-2-hydroxy-propyl]-isobutyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiophen 2-[[[(2S)-3-tert-butoxy-2-hydrox…

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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) 3.48 9.03 -50.58 3 6 1 80 422.615 9 ↓
Hi High (pH 8-9.5) 3.93 6.06 -47.56 2 6 0 83 421.607 9 ↓
Hi High (pH 8-9.5) 3.48 7.03 -12.98 2 6 0 78 421.607 9 ↓

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