| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 19 | Yes |
Popular Name: (1S,2S)-N1-(1-ethyl-4-piperidyl)-N1,N2-dimethyl-cycloheptane-1,2-diamine (1S,2S)-N1-(1-ethyl-4-piperidyl)…
| 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) | 2.82 | 5.61 | -29.03 | 2 | 3 | 1 | 20 | 268.469 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.82 | 7.05 | -109.41 | 3 | 3 | 2 | 24 | 269.477 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.82 | 7.63 | -82.34 | 3 | 3 | 2 | 24 | 269.477 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.82 | 9.29 | -203.38 | 4 | 3 | 3 | 25 | 270.485 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.82 | 7.86 | -95.76 | 3 | 3 | 2 | 21 | 269.477 | 4 | ↓ |
