UCSF

ZINC36156690

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 Yes

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

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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) 2.96 8.15 -51.57 3 6 1 80 408.588 9 ↓
Hi High (pH 8-9.5) 3.42 5.45 -48.81 2 6 0 83 407.58 9 ↓
Hi High (pH 8-9.5) 2.96 6.18 -14.45 2 6 0 78 407.58 9 ↓

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