UCSF

ZINC36156794

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 Yes

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

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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) 3.99 10.57 -55.93 3 6 1 80 442.605 9 ↓
Hi High (pH 8-9.5) 4.45 7.27 -52.9 2 6 0 83 441.597 9 ↓
Hi High (pH 8-9.5) 3.99 8.89 -16.77 2 6 0 78 441.597 9 ↓

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