| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 20 | Yes |
Popular Name: (2S)-1-(diethylamino)-3-[3-[(2S)-2-methyl-1-piperidyl]propylamino]propan-2-ol (2S)-1-(diethylamino)-3-[3-[(2S)…
| 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) | 1.42 | 6.99 | -179.01 | 5 | 4 | 3 | 46 | 288.5 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 5.57 | -75.02 | 4 | 4 | 2 | 41 | 287.492 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 7.54 | -97.17 | 4 | 4 | 2 | 49 | 287.492 | 10 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 4.84 | -102.08 | 4 | 4 | 2 | 45 | 287.492 | 10 | ↓ |
