| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 20 | Yes |
Popular Name: [5-[[4-(2-pyridyl)piperazin-1-yl]methyl]-3-furyl]methanamine [5-[[4-(2-pyridyl)piperazin-1-yl…
| 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) | 0.80 | 6.05 | -100.26 | 4 | 5 | 2 | 61 | 274.368 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 3.4 | -6.82 | 2 | 5 | 0 | 59 | 272.352 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 3.81 | -48.51 | 3 | 5 | 1 | 60 | 273.36 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 4.12 | -81.94 | 4 | 5 | 2 | 61 | 274.368 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.80 | 6.36 | -163.97 | 5 | 5 | 3 | 63 | 275.376 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
