| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 16 | Yes |
Popular Name: (2S)-1-methylamino-3-[methyl-[2-(2-pyridyl)ethyl]amino]propan-2-ol (2S)-1-methylamino-3-[methyl-[2-…
| 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) | 0.12 | 3.34 | -103.78 | 4 | 4 | 2 | 54 | 225.336 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.12 | 1.84 | -41.13 | 3 | 4 | 1 | 50 | 224.328 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.12 | 0.77 | -37.97 | 3 | 4 | 1 | 53 | 224.328 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.12 | -0.85 | -5.44 | 2 | 4 | 0 | 48 | 223.32 | 7 | ↓ |
