| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 17 | Yes |
Popular Name: (2S)-1-[methyl(2-pyridylmethyl)amino]-3-(propylamino)propan-2-ol (2S)-1-[methyl(2-pyridylmethyl)a…
| 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) | 0.24 | 1.31 | -40.96 | 3 | 4 | 1 | 53 | 238.355 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.24 | -0.05 | -6.1 | 2 | 4 | 0 | 48 | 237.347 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.24 | 2.37 | -36.13 | 3 | 4 | 1 | 50 | 238.355 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.24 | 2.03 | -81.52 | 4 | 4 | 2 | 54 | 239.363 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.24 | 4.26 | -45.61 | 3 | 4 | 1 | 57 | 238.355 | 8 | ↓ |
