| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2011 | 25 | Yes |
Popular Name: (2R)-2-amino-N-[[2-[4-(2-pyridyl)piperazin-1-yl]-3-pyridyl]methyl]propanamide (2R)-2-amino-N-[[2-[4-(2-pyridyl…
| 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) | -0.13 | 6.18 | -161.71 | 6 | 7 | 3 | 91 | 343.455 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.13 | 5.37 | -46.33 | 4 | 7 | 1 | 89 | 341.439 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.13 | 5.05 | -11.58 | 3 | 7 | 0 | 87 | 340.431 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.13 | 5.71 | -95.1 | 5 | 7 | 2 | 90 | 342.447 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.13 | 5.85 | -92.96 | 5 | 7 | 2 | 90 | 342.447 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
