| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 23 | Yes |
Popular Name: 2-fluoro-6-[[4-[4-(hydroxymethyl)-2-pyridyl]piperazin-1-yl]methyl]phenol 2-fluoro-6-[[4-[4-(hydroxymethyl…
| 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 | 2.65 | -32.36 | 3 | 5 | 1 | 61 | 318.372 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 2.91 | -49.61 | 1 | 5 | -1 | 63 | 316.356 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 2.33 | -9.89 | 2 | 5 | 0 | 60 | 317.364 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.57 | 4.58 | -44.12 | 3 | 5 | 1 | 61 | 318.372 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.57 | 4.89 | -98.18 | 4 | 5 | 2 | 62 | 319.38 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
