| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2009 | 13 | Yes |
Popular Name: (2S)-N1-methyl-N1-(3-pyridylmethyl)propane-1,2-diamine (2S)-N1-methyl-N1-(3-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) | -0.29 | 3.25 | -38.33 | 3 | 3 | 1 | 43 | 180.275 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.29 | 1.71 | -40.84 | 3 | 3 | 1 | 44 | 180.275 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.29 | 3.6 | -123.03 | 4 | 3 | 2 | 45 | 181.283 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.29 | 2.18 | -93.88 | 4 | 3 | 2 | 45 | 181.283 | 4 | ↓ |
