| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 16 | Yes |
Popular Name: (2R)-N1,3,3-trimethyl-N1-(4-pyridylmethyl)butane-1,2-diamine (2R)-N1,3,3-trimethyl-N1-(4-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) | 1.02 | 5.39 | -131.35 | 4 | 3 | 2 | 45 | 223.364 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 3.38 | -43.46 | 3 | 3 | 1 | 44 | 222.356 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 5.01 | -37.6 | 3 | 3 | 1 | 43 | 222.356 | 5 | ↓ |
