| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 15 | Yes |
Popular Name: (1S)-N-isobutyl-N-methyl-1-(2-pyridyl)ethane-1,2-diamine (1S)-N-isobutyl-N-methyl-1-(2-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) | 0.68 | 5.41 | -26.35 | 3 | 3 | 1 | 43 | 208.329 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 3.41 | -3.8 | 2 | 3 | 0 | 42 | 207.321 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 3.94 | -41.96 | 3 | 3 | 1 | 44 | 208.329 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 5.47 | -111.17 | 4 | 3 | 2 | 45 | 209.337 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.68 | 3.51 | -101.46 | 4 | 3 | 2 | 45 | 209.337 | 5 | ↓ |
