| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 29 | Yes |
Popular Name: N-[2-oxo-2-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]anilino]ethyl]butanamide N-[2-oxo-2-[4-[[4-(2-pyridyl)pip…
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| 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) | 2.52 | 6.87 | -36.75 | 3 | 7 | 1 | 79 | 396.515 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 8.77 | -47.38 | 3 | 7 | 1 | 79 | 396.515 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 9.09 | -102.68 | 4 | 7 | 2 | 80 | 397.523 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 6.54 | -12.7 | 2 | 7 | 0 | 78 | 395.507 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
