| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2008 | 17 | No |
Popular Name: 1-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-1,4-diazepane 1-[4-(chloromethyl)-2,5-dimethyl…
| 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) | 1.50 | 6.68 | -43.62 | 1 | 4 | 1 | 26 | 257.789 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.50 | 4.56 | -4.97 | 0 | 4 | 0 | 24 | 256.781 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.50 | 6.79 | -85.96 | 2 | 4 | 2 | 27 | 258.797 | 2 | ↓ |
