| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 15th, 2011 | 24 | Yes |
Popular Name: 2-amino-N-[[2-[4-(2-pyridyl)piperazin-1-yl]-3-pyridyl]methyl]acetamide 2-amino-N-[[2-[4-(2-pyridyl)pipe…
| 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) | -0.03 | 5.49 | -160.34 | 6 | 7 | 3 | 91 | 329.428 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.03 | 4.42 | -51.93 | 4 | 7 | 1 | 89 | 327.412 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.03 | 4.01 | -12.73 | 3 | 7 | 0 | 87 | 326.404 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | 4.89 | -98.41 | 5 | 7 | 2 | 90 | 328.42 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | 5.01 | -94.18 | 5 | 7 | 2 | 90 | 328.42 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
