| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 18 | Yes |
Popular Name: (2S)-2-amino-1-[(3S)-3-hydroxy-1-piperidyl]-3-phenyl-propan-1-one (2S)-2-amino-1-[(3S)-3-hydroxy-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) | 0.09 | 2.03 | -44.17 | 4 | 4 | 1 | 68 | 249.334 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.09 | 1.74 | -9.17 | 3 | 4 | 0 | 67 | 248.326 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0832065A1; US6107329 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
