In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 16 | Yes |
Popular Name: N,N-diethyl-N'-[[(1R,2S)-2-methylcyclohexyl]methyl]ethane-1,2-diamine N,N-diethyl-N'-[[(1R,2S)-2-methy…
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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) | 3.06 | 6.35 | -38.73 | 2 | 2 | 1 | 20 | 227.416 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.06 | 7.13 | -30.45 | 2 | 2 | 1 | 16 | 227.416 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.06 | 8.47 | -113.41 | 3 | 2 | 2 | 21 | 228.424 | 7 | ↓ |