| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 16 | Yes |
Popular Name: (2S,3R)-N2,3-dimethyl-N2-(2-pyridylmethyl)pentane-1,2-diamine (2S,3R)-N2,3-dimethyl-N2-(2-pyri…
| 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) | 0.99 | 4.68 | -116.11 | 4 | 3 | 2 | 45 | 223.364 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.99 | 2.98 | -39.16 | 3 | 3 | 1 | 44 | 222.356 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 3.63 | -91.85 | 4 | 3 | 2 | 45 | 223.364 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 5.12 | -28.18 | 3 | 3 | 1 | 43 | 222.356 | 6 | ↓ |
