| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 20 | Yes |
Popular Name: (1S,2S,4S)-N1-ethyl-N2,4-dimethyl-N2-(m-tolylmethyl)cyclohexane-1,2-diamine (1S,2S,4S)-N1-ethyl-N2,4-dimethy…
| 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) | 3.72 | 10.49 | -115.31 | 3 | 2 | 2 | 21 | 276.468 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 9.45 | -31.27 | 2 | 2 | 1 | 16 | 275.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 8.59 | -34.07 | 2 | 2 | 1 | 20 | 275.46 | 5 | ↓ |
