| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2010 | 21 | Yes |
Popular Name: (1S)-1-(4-ethylphenyl)-N'-(1-ethyl-4-piperidyl)-N'-methyl-ethane-1,2-diamine (1S)-1-(4-ethylphenyl)-N'-(1-eth…
| 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) | 1.17 | 9.21 | -97.47 | 4 | 3 | 2 | 35 | 291.483 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 7.6 | -33.16 | 3 | 3 | 1 | 34 | 290.475 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 7.16 | -32.61 | 3 | 3 | 1 | 34 | 290.475 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 7.45 | -92.31 | 4 | 3 | 2 | 35 | 291.483 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.17 | 9.54 | -202.38 | 5 | 3 | 3 | 37 | 292.491 | 6 | ↓ |
