| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 23 | Yes |
Popular Name: (3R)-3-hydroxy-3-[(isobutylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one (3R)-3-hydroxy-3-[(isobutylamino…
| 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) | 2.37 | 7.55 | -41.26 | 3 | 4 | 1 | 57 | 319.469 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.37 | 7.02 | -7.77 | 2 | 4 | 0 | 53 | 318.461 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
