| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 18 | Yes |
Popular Name: (5S,6R)-5-amino-1-isobutyl-6-(5-methyl-2-furyl)piperidin-2-one (5S,6R)-5-amino-1-isobutyl-6-(5-…
| 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) | 1.11 | 5.14 | -55.97 | 3 | 4 | 1 | 61 | 251.35 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 4.9 | -8.2 | 2 | 4 | 0 | 59 | 250.342 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
