| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2010 | 33 | No |
Popular Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-piperidylamino)thiazol-4-yl]benzamide N-[1-(cyanomethylcarbamoyl)cyclo…
| 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) | 2.41 | 7.65 | -60.17 | 5 | 8 | 1 | 124 | 467.619 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.41 | 7.99 | -109.44 | 6 | 8 | 2 | 125 | 468.627 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000055126A2 | IBM Patent Data |
