UCSF

ZINC43975914

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 Yes

Popular Name: (1S,2R)-N1-ethyl-N2-(2-methoxyethyl)-N2-[(1S)-2-methoxy-1-methyl-ethyl]cyclohexane-1,2-diamine (1S,2R)-N1-ethyl-N2-(2-methoxyet…

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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) 2.19 3.96 -29.39 2 4 1 38 273.441 9 ↓
Hi High (pH 8-9.5) 2.19 2.52 -3.16 1 4 0 34 272.433 9 ↓
Hi High (pH 8-9.5) 2.19 5.25 -24.25 2 4 1 35 273.441 9 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )