| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 19 | Yes |
Popular Name: (1S,2S)-N1-(1-ethylpropyl)-N1-(2-methoxyethyl)-N2-methyl-cycloheptane-1,2-diamine (1S,2S)-N1-(1-ethylpropyl)-N1-(2…
| 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) | 3.75 | 8.49 | -107.89 | 3 | 3 | 2 | 30 | 272.477 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 7.08 | -35.21 | 2 | 3 | 1 | 29 | 271.469 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 6.19 | -0.13 | 1 | 3 | 0 | 24 | 270.461 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 7.54 | -26.4 | 2 | 3 | 1 | 26 | 271.469 | 8 | ↓ |
