| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 15 | Yes |
Popular Name: (2R)-1-[2-dimethylaminoethyl(propyl)amino]-3-(methylamino)propan-2-ol (2R)-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 | 3.43 | -184.09 | 5 | 4 | 3 | 46 | 220.381 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.39 | 3.97 | -103.21 | 4 | 4 | 2 | 49 | 219.373 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.39 | 1.49 | -40.08 | 3 | 4 | 1 | 47 | 218.365 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.39 | -0.5 | -33.64 | 3 | 4 | 1 | 40 | 218.365 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.39 | -0.73 | -31.21 | 2 | 4 | 0 | 46 | 217.357 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.39 | 1.22 | -83.15 | 4 | 4 | 2 | 45 | 219.373 | 9 | ↓ |
