| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 18 | No |
Popular Name: 1-[2-(chloromethyl)-4-pyridyl]-4-isobutyl-piperazine 1-[2-(chloromethyl)-4-pyridyl]-4…
| 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) | 2.80 | 8.68 | -87.34 | 2 | 3 | 2 | 22 | 269.82 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.80 | 6.31 | -4.7 | 0 | 3 | 0 | 19 | 267.804 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 6.74 | -30.05 | 1 | 3 | 1 | 21 | 268.812 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 8.24 | -41.57 | 1 | 3 | 1 | 21 | 268.812 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
