| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 15 | Yes |
Popular Name: (2S)-1-[2-dimethylaminoethyl(propyl)amino]-3-(methylamino)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) | 0.39 | 3.71 | -188.69 | 5 | 4 | 3 | 46 | 220.381 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.39 | 4.23 | -103.4 | 4 | 4 | 2 | 49 | 219.373 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.39 | -0.28 | -33.88 | 3 | 4 | 1 | 40 | 218.365 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.39 | -0.69 | -30.71 | 2 | 4 | 0 | 46 | 217.357 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.39 | 1.76 | -40.63 | 3 | 4 | 1 | 47 | 218.365 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.39 | 1.23 | -83.13 | 4 | 4 | 2 | 45 | 219.373 | 9 | ↓ |
