| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 14 | Yes |
Popular Name: (3S)-N1-methyl-N1-(2-pyridylmethyl)butane-1,3-diamine (3S)-N1-methyl-N1-(2-pyridylmeth…
| 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) | 0.05 | 2.1 | -44.45 | 3 | 3 | 1 | 44 | 194.302 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.05 | 2.13 | -86.96 | 4 | 3 | 2 | 45 | 195.31 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.05 | 4.12 | -35.07 | 3 | 3 | 1 | 43 | 194.302 | 5 | ↓ |
