UCSF

ZINC36157114

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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-morpholino-propyl]-(3-methoxypropyl)amino]methyl]-5,6,7,8-tetrahydro-3H-benzot 2-[[[(2S)-2-hydroxy-3-morpholino…

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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) 1.31 4.55 -56.8 3 8 1 92 451.613 10 ↓
Hi High (pH 8-9.5) 1.31 2.3 -15.16 2 8 0 91 450.605 10 ↓
Hi High (pH 8-9.5) 1.77 1.9 -49.29 2 8 0 95 450.605 10 ↓
Lo Low (pH 4.5-6) 1.31 6.89 -129.42 4 8 2 93 452.621 10 ↓

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