| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 20 | Yes |
Popular Name: [5-[[4-(2-pyridyl)piperazin-1-yl]methyl]-2-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) | 1.11 | 6.29 | -100.53 | 4 | 5 | 2 | 61 | 274.368 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 4.04 | -48.22 | 3 | 5 | 1 | 60 | 273.36 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 4.36 | -82.73 | 4 | 5 | 2 | 61 | 274.368 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.11 | 6.61 | -164.81 | 5 | 5 | 3 | 63 | 275.376 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
