UCSF

ZINC36157096

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 Yes

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

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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) 2.07 6.8 -55.59 3 7 1 89 422.571 12 ↓
Hi High (pH 8-9.5) 2.07 4.5 -15.59 2 7 0 88 421.563 12 ↓
Hi High (pH 8-9.5) 2.53 4.13 -48.91 2 7 0 92 421.563 12 ↓

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