| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N1-methyl-N1-[(1-methylpyrazol-4-yl)methyl]-1-(p-tolyl)butane-1,2-diamine (1S,2S)-N1-methyl-N1-[(1-methylp…
| 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) | 1.89 | 7.78 | -118.9 | 4 | 4 | 2 | 50 | 288.439 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 7.48 | -37.42 | 3 | 4 | 1 | 48 | 287.431 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 6.33 | -44.3 | 3 | 4 | 1 | 49 | 287.431 | 6 | ↓ |
