| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 16 | Yes |
Popular Name: (1S)-N-methyl-N-[(1R)-1-methylbutyl]-1-(2-pyridyl)ethane-1,2-diamine (1S)-N-methyl-N-[(1R)-1-methylbu…
| 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) | 1.33 | 5.77 | -25.49 | 3 | 3 | 1 | 43 | 222.356 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 4.02 | -2.17 | 2 | 3 | 0 | 42 | 221.348 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 5.73 | -113.19 | 4 | 3 | 2 | 45 | 223.364 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 4.06 | -43.24 | 3 | 3 | 1 | 44 | 222.356 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.33 | 3.81 | -100.3 | 4 | 3 | 2 | 45 | 223.364 | 6 | ↓ |
