| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 18 | Yes |
Popular Name: (2S)-1-(diethylamino)-3-[3-(diethylamino)propylamino]propan-2-ol (2S)-1-(diethylamino)-3-[3-(diet…
| 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) | 0.94 | 6.01 | -176.23 | 5 | 4 | 3 | 46 | 262.462 | 12 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 4.66 | -74.56 | 4 | 4 | 2 | 41 | 261.454 | 12 | ↓ |
| Mid Mid (pH 6-8) | 0.94 | 6.51 | -96.71 | 4 | 4 | 2 | 49 | 261.454 | 12 | ↓ |
| Mid Mid (pH 6-8) | 0.94 | 3.83 | -101.29 | 4 | 4 | 2 | 45 | 261.454 | 12 | ↓ |
