| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 24 | No |
Popular Name: 4-amino-5-chloro-N-[(3S,4S)-1-(cyanomethyl)-3-methoxy-4-piperidyl]-2-methoxy-benzamide 4-amino-5-chloro-N-[(3S,4S)-1-(c…
| 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) | 1.66 | 2.32 | -15.89 | 3 | 7 | 0 | 101 | 352.822 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.66 | 4.57 | -57.18 | 4 | 7 | 1 | 102 | 353.83 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4906643; US5130312 | IBM Patent Data |
