| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 15 | Yes |
Popular Name: (1S)-N-butyl-N-methyl-1-(4-pyridyl)ethane-1,2-diamine (1S)-N-butyl-N-methyl-1-(4-pyrid…
| 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) | 0.88 | 2.85 | -51.1 | 3 | 3 | 1 | 44 | 208.329 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 4.89 | -131.64 | 4 | 3 | 2 | 45 | 209.337 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 4.54 | -37.03 | 3 | 3 | 1 | 43 | 208.329 | 6 | ↓ |
