| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | Yes |
Popular Name: (1S)-N-ethyl-N-(2-ethylbutyl)-1-(2-pyridyl)ethane-1,2-diamine (1S)-N-ethyl-N-(2-ethylbutyl)-1-…
| 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) | 2.06 | 7.01 | -25.76 | 3 | 3 | 1 | 43 | 250.41 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 5.5 | -3.12 | 2 | 3 | 0 | 42 | 249.402 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 7.27 | -117.87 | 4 | 3 | 2 | 45 | 251.418 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 7.73 | -43.83 | 3 | 3 | 1 | 44 | 250.41 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.06 | 5.36 | -104.6 | 4 | 3 | 2 | 45 | 251.418 | 8 | ↓ |
