| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 15 | Yes |
Popular Name: (2S)-N2-ethyl-N1-methyl-N1-(4-pyridylmethyl)propane-1,2-diamine (2S)-N2-ethyl-N1-methyl-N1-(4-py…
| 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) | 0.94 | 4.29 | -35.99 | 2 | 3 | 1 | 33 | 208.329 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 5.16 | -37.61 | 2 | 3 | 1 | 29 | 208.329 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 2.64 | -3.57 | 1 | 3 | 0 | 28 | 207.321 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.94 | 6.23 | -119.5 | 3 | 3 | 2 | 34 | 209.337 | 6 | ↓ |
