| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 14 | Yes |
Popular Name: (2S)-N1,N2-dimethyl-N1-(2-pyridylmethyl)propane-1,2-diamine (2S)-N1,N2-dimethyl-N1-(2-pyridy…
| 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) | 0.69 | 5.3 | -107.59 | 3 | 3 | 2 | 34 | 195.31 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 3.97 | -34.27 | 2 | 3 | 1 | 29 | 194.302 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 2.22 | -3.94 | 1 | 3 | 0 | 28 | 193.294 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 4.1 | -82.31 | 3 | 3 | 2 | 34 | 195.31 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 3.38 | -32.29 | 2 | 3 | 1 | 33 | 194.302 | 5 | ↓ |
