| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 19 | Yes |
Popular Name: (3-hydroxy-2-pyridyl)-(4-isobutylpiperazin-1-yl)methanone (3-hydroxy-2-pyridyl)-(4-isobuty…
| 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) | 1.34 | 3.13 | -28.87 | 1 | 5 | 0 | 61 | 263.341 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 3.59 | -10.76 | 1 | 5 | 0 | 57 | 263.341 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 4.38 | -51.58 | 0 | 5 | -1 | 59 | 262.333 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 6.01 | -39.85 | 2 | 5 | 1 | 58 | 264.349 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 7.02 | -62.72 | 1 | 5 | 0 | 61 | 263.341 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 5 | -60.24 | 2 | 5 | 1 | 62 | 264.349 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
