| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 18 | Yes |
Popular Name: CHEBI:1756; CHEBI:20279 CHEBI:1756; CHEBI:20279
Find On: PubMed — Wikipedia — Google
CAS Number: 87530-30-1
| 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) | 3.10 | -2.17 | -8.23 | 2 | 3 | 0 | 49 | 242.274 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102380-2-O | Ileum (cluster #2 Of 3), Other | Other | 410 | 0.50 | Functional ≤ 10μM |
| Z80418-2-O | RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #2 Of 9), Other | Other | 9600 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102380 | Z102380 | Ileum | 410 | 0.50 | Functional ≤ 10μM |
| Z80418 | Z80418 | RAW264.7 (Monocytic-macrophage Leukemia Cells) | 9600 | 0.39 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.