UCSF

ZINC36156791

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Substance Information

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

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

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Download: MOL2 SDF SMILES Flexibase

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) 1.80 6.25 -54.92 3 7 1 89 410.56 11 ↓
Hi High (pH 8-9.5) 1.80 3.97 -15.32 2 7 0 88 409.552 11 ↓
Hi High (pH 8-9.5) 2.26 3.56 -48.4 2 7 0 92 409.552 11 ↓

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