| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: [3-(4-isobutylpiperazin-1-yl)-5,6-dimethyl-pyridazin-4-yl]methanamine [3-(4-isobutylpiperazin-1-yl)-5,…
| 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) | 1.57 | 6.45 | -112.37 | 4 | 5 | 2 | 61 | 279.432 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 4.13 | -8 | 2 | 5 | 0 | 58 | 277.416 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 4.48 | -55.66 | 3 | 5 | 1 | 60 | 278.424 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 6.02 | -36.04 | 3 | 5 | 1 | 59 | 278.424 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
