| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 17 | Yes |
Popular Name: (1S)-N-[(1S)-1,3-dimethylbutyl]-N-methyl-1-(2-pyridyl)ethane-1,2-diamine (1S)-N-[(1S)-1,3-dimethylbutyl]-…
| 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) | 1.54 | 6.09 | -25.89 | 3 | 3 | 1 | 43 | 236.383 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.54 | 6.17 | -2.31 | 2 | 3 | 0 | 42 | 235.375 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 6.33 | -115.83 | 4 | 3 | 2 | 45 | 237.391 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 6.28 | -46.77 | 3 | 3 | 1 | 44 | 236.383 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.54 | 4.13 | -102.57 | 4 | 3 | 2 | 45 | 237.391 | 6 | ↓ |
