| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 18 | Yes |
Popular Name: 5-[4-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one 5-[4-(2-aminoethyl)piperidine-1-…
| 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) | -0.61 | 0.98 | -52.74 | 4 | 6 | 1 | 94 | 251.31 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.16 | -1.14 | -75.19 | 3 | 6 | 0 | 97 | 250.302 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
