UCSF

ZINC36156728

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Substance Information

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

Popular Name: 2-[[[(2S)-3-tert-butoxy-2-hydroxy-propyl]-cyclopropyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiop 2-[[[(2S)-3-tert-butoxy-2-hydrox…

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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) 2.72 8.4 -49.01 3 6 1 80 406.572 8 ↓
Hi High (pH 8-9.5) 3.18 5.47 -50.16 2 6 0 83 405.564 8 ↓
Hi High (pH 8-9.5) 2.72 6.21 -13.2 2 6 0 78 405.564 8 ↓

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