UCSF

ZINC36157107

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 27 Yes

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

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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) 1.42 5.26 -54.9 3 7 1 89 396.533 10 ↓
Hi High (pH 8-9.5) 1.42 2.96 -15.34 2 7 0 88 395.525 10 ↓
Hi High (pH 8-9.5) 1.88 2.59 -48.47 2 7 0 92 395.525 10 ↓

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