UCSF

ZINC43968362

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 14 Yes

Popular Name: (2R)-N1,N2-dimethyl-N1-[(1S,3S)-3-methylcyclohexyl]propane-1,2-diamine (2R)-N1,N2-dimethyl-N1-[(1S,3S)-…

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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) 2.37 6.97 -110.41 3 2 2 21 200.37 4 ↓
Mid Mid (pH 6-8) 2.37 5.82 -28.64 2 2 1 16 199.362 4 ↓
Mid Mid (pH 6-8) 2.37 4.92 -32.05 2 2 1 20 199.362 4 ↓

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