In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 19 | Yes |
Popular Name: (1R,2S)-N2-ethyl-N1-(1-ethylpropyl)-N1-(2-methoxyethyl)cyclohexane-1,2-diamine (1R,2S)-N2-ethyl-N1-(1-ethylprop…
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) | 3.62 | 6.57 | -29.46 | 2 | 3 | 1 | 29 | 271.469 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.62 | 5.91 | -0.29 | 1 | 3 | 0 | 24 | 270.461 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.62 | 7.08 | -26.55 | 2 | 3 | 1 | 26 | 271.469 | 9 | ↓ |