| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 14 | Yes |
Popular Name: (2S)-N1,N2-dimethyl-N1-(4-pyridylmethyl)propane-1,2-diamine (2S)-N1,N2-dimethyl-N1-(4-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) | 0.57 | 5.35 | -121.47 | 3 | 3 | 2 | 34 | 195.31 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 2.28 | -3.22 | 1 | 3 | 0 | 28 | 193.294 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 4.05 | -39.9 | 2 | 3 | 1 | 29 | 194.302 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 3.47 | -38.8 | 2 | 3 | 1 | 33 | 194.302 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.57 | 3.93 | -85.38 | 3 | 3 | 2 | 34 | 195.31 | 5 | ↓ |
