| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 20 | Yes |
Popular Name: (5S,6R)-5-amino-1-isobutyl-6-(1,3,5-trimethylpyrazol-4-yl)piperidin-2-one (5S,6R)-5-amino-1-isobutyl-6-(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) | 0.45 | 4.01 | -56.12 | 3 | 5 | 1 | 66 | 279.408 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.45 | 4.79 | -8.68 | 2 | 5 | 0 | 64 | 278.4 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
