| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2010 | 20 | Yes |
Popular Name: (1S)-N'-(1-ethyl-4-piperidyl)-N'-methyl-1-(p-tolyl)ethane-1,2-diamine (1S)-N'-(1-ethyl-4-piperidyl)-N'…
| 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) | 0.70 | 9.1 | -97.5 | 4 | 3 | 2 | 35 | 277.456 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 6.8 | -32.11 | 3 | 3 | 1 | 34 | 276.448 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 6.2 | -34.82 | 3 | 3 | 1 | 34 | 276.448 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.70 | 6.66 | -92.28 | 4 | 3 | 2 | 35 | 277.456 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.70 | 8.76 | -201.76 | 5 | 3 | 3 | 37 | 278.464 | 5 | ↓ |
