| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 28 | Yes |
Popular Name: N-(1-adamantylmethyl)-2-chloro-5-[[(3S)-3-piperidyl]amino]benzamide N-(1-adamantylmethyl)-2-chloro-5…
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| 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) | 5.02 | 9.08 | -56.99 | 4 | 4 | 1 | 58 | 402.99 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7-1-E | P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7_RAT | Q64663 | P2X Purinoceptor 7, Rat | 30 | 0.38 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| The NLRP3 inflammasome |
