| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 18 | Yes |
Popular Name: (5S,6S)-5-amino-1-isobutyl-6-(3-methyl-2-thienyl)piperidin-2-one (5S,6S)-5-amino-1-isobutyl-6-(3-…
| 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) | 1.91 | 5.52 | -54.4 | 3 | 3 | 1 | 48 | 267.418 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 5.2 | -6.63 | 2 | 3 | 0 | 46 | 266.41 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
