UCSF

ZINC36161357

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Substance Information

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

Popular Name: (7R)-2-[[[(2S)-3-ethoxy-2-hydroxy-propyl]-isopropyl-amino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-ben (7R)-2-[[[(2S)-3-ethoxy-2-hydrox…

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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) 2.69 7.26 -51.51 3 6 1 80 394.561 8 ↓
Hi High (pH 8-9.5) 3.15 4.57 -48.63 2 6 0 83 393.553 8 ↓
Hi High (pH 8-9.5) 2.69 5.28 -14.33 2 6 0 78 393.553 8 ↓

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