UCSF

ZINC36158688

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 Yes

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

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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) 4.42 11.49 -57.13 3 6 1 80 470.659 11 ↓
Hi High (pH 8-9.5) 4.87 8.83 -50.6 2 6 0 83 469.651 11 ↓
Hi High (pH 8-9.5) 4.42 9.19 -15.09 2 6 0 78 469.651 11 ↓

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