| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 16 | Yes |
Popular Name: (2S)-N1,N1-diethyl-N2-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[(1-methyl…
| 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) | 0.99 | 5.32 | -35.29 | 2 | 4 | 1 | 34 | 225.36 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 4.47 | -37.67 | 2 | 4 | 1 | 38 | 225.36 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 6.5 | -112.81 | 3 | 4 | 2 | 39 | 226.368 | 7 | ↓ |
