| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2009 | 38 | No |
Popular Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-morpholino-1-piperidyl)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) | 3.09 | 7.2 | -20 | 2 | 9 | 0 | 111 | 536.702 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 9.47 | -60.01 | 3 | 9 | 1 | 112 | 537.71 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.09 | 9.8 | -115.25 | 4 | 9 | 2 | 113 | 538.718 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100750-1-O | Osteoclasts (cluster #1 Of 1), Other | Other | 3 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100750 | Z100750 | Osteoclasts | 3 | 0.31 | Functional ≤ 10μM |
