| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 16 | Yes |
Popular Name: (2S)-N1-methyl-N2-propyl-N1-(4-pyridylmethyl)propane-1,2-diamine (2S)-N1-methyl-N2-propyl-N1-(4-p…
| 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) | 1.45 | 7 | -121.92 | 3 | 3 | 2 | 34 | 223.364 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 5.91 | -37.93 | 2 | 3 | 1 | 29 | 222.356 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 3.4 | -3.57 | 1 | 3 | 0 | 28 | 221.348 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 5.06 | -36.73 | 2 | 3 | 1 | 33 | 222.356 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.45 | 5.51 | -82.54 | 3 | 3 | 2 | 34 | 223.364 | 7 | ↓ |
