| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 18 | Yes |
Popular Name: (2S)-1-[methyl-[2-(2-pyridyl)ethyl]amino]-3-(propylamino)propan-2-ol (2S)-1-[methyl-[2-(2-pyridyl)eth…
| 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) | 0.64 | 2.21 | -40 | 3 | 4 | 1 | 53 | 252.382 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 0.85 | -5.11 | 2 | 4 | 0 | 48 | 251.374 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 5.16 | -41.74 | 3 | 4 | 1 | 57 | 252.382 | 9 | ↓ |
