UCSF

ZINC36156815

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 Yes

Popular Name: 2-[[[(2S)-2-hydroxy-3-morpholino-propyl]-isobutyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno 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) 2.18 6.28 -52.5 3 7 1 83 435.614 8 ↓
Hi High (pH 8-9.5) 2.64 3.29 -48.46 2 7 0 86 434.606 8 ↓
Hi High (pH 8-9.5) 2.18 5.23 -14.21 2 7 0 82 434.606 8 ↓
Lo Low (pH 4.5-6) 2.18 8.57 -120.59 4 7 2 84 436.622 8 ↓

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