| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 17 | Yes |
Popular Name: (2S)-1-[2-(diisopropylamino)ethylamino]-3-(dimethylamino)propan-2-ol (2S)-1-[2-(diisopropylamino)ethy…
| 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) | 0.51 | 5.01 | -102.61 | 4 | 4 | 2 | 49 | 247.427 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | -0.23 | -39.51 | 3 | 4 | 1 | 43 | 246.419 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | 0.66 | -30.4 | 3 | 4 | 1 | 40 | 246.419 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | 0.97 | -33.4 | 3 | 4 | 1 | 40 | 246.419 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | 2.32 | -101.48 | 4 | 4 | 2 | 45 | 247.427 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 3.1 | -76.5 | 4 | 4 | 2 | 41 | 247.427 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 1.9 | -110.41 | 4 | 4 | 2 | 45 | 247.427 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 4.46 | -187.07 | 5 | 4 | 3 | 46 | 248.435 | 9 | ↓ |
