| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 17 | Yes |
Popular Name: (2S)-1-[2-dimethylaminoethyl(propyl)amino]-3-(isopropylamino)propan-2-ol (2S)-1-[2-dimethylaminoethyl(pro…
| 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) | 1.06 | 5.13 | -190.93 | 5 | 4 | 3 | 46 | 248.435 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 5.67 | -103.27 | 4 | 4 | 2 | 49 | 247.427 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 3.19 | -37.88 | 3 | 4 | 1 | 47 | 246.419 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 1.02 | -26.95 | 2 | 4 | 0 | 46 | 245.411 | 10 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 2.96 | -86.4 | 4 | 4 | 2 | 45 | 247.427 | 10 | ↓ |
