| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 20 | Yes |
Popular Name: (2S)-1-[3-[benzyl(methyl)amino]propylamino]-3-(dimethylamino)propan-2-ol (2S)-1-[3-[benzyl(methyl)amino]p…
| 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) | 0.83 | 4.53 | -102.58 | 4 | 4 | 2 | 45 | 281.444 | 10 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 2.91 | -37.98 | 3 | 4 | 1 | 40 | 280.436 | 10 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 7.4 | -105.28 | 4 | 4 | 2 | 49 | 281.444 | 10 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 5.44 | -82.22 | 4 | 4 | 2 | 41 | 281.444 | 10 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 2 | -41.94 | 3 | 4 | 1 | 43 | 280.436 | 10 | ↓ |
