| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 16 | Yes |
Popular Name: (2S)-1-[2-dimethylaminoethyl(propyl)amino]-3-(ethylamino)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) | 0.42 | 4.57 | -190.42 | 5 | 4 | 3 | 46 | 234.408 | 10 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 5.09 | -103.27 | 4 | 4 | 2 | 49 | 233.4 | 10 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 2.62 | -39.88 | 3 | 4 | 1 | 47 | 232.392 | 10 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 0.67 | -33.94 | 3 | 4 | 1 | 40 | 232.392 | 10 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 0.17 | -29.25 | 2 | 4 | 0 | 46 | 231.384 | 10 | ↓ |
| Mid Mid (pH 6-8) | 0.42 | 2.12 | -83.07 | 4 | 4 | 2 | 45 | 233.4 | 10 | ↓ |
