| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 21 | Yes |
Popular Name: [3-oxo-3-[4-(2-pyridylmethyl)piperazin-1-yl]propyl]urea [3-oxo-3-[4-(2-pyridylmethyl)pip…
| 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) | -0.88 | -0.65 | -20.39 | 3 | 7 | 0 | 92 | 291.355 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.88 | 0.08 | -48.16 | 4 | 7 | 1 | 93 | 292.363 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.88 | 1.56 | -56.56 | 4 | 7 | 1 | 93 | 292.363 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
