| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 16th, 2010 | 21 | No |
Popular Name: 2-[2-oxo-2-[4-(2-pyridylmethyl)piperazin-1-yl]ethoxy]acetic 2-[2-oxo-2-[4-(2-pyridylmethyl)p…
| 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) | -0.99 | 4.57 | -58.09 | 0 | 7 | -1 | 86 | 292.315 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.99 | 5.31 | -77.03 | 1 | 7 | 0 | 87 | 293.323 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.99 | 6.79 | -80.47 | 1 | 7 | 0 | 87 | 293.323 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.99 | 7.56 | -142.96 | 2 | 7 | 1 | 88 | 294.331 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
