| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 12 | Yes |
Popular Name: 1H-Imidazole, 1-ethynyl-2-(3-methoxy-1-propynyl)- (9CI) 1H-Imidazole, 1-ethynyl-2-(3-met…
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CAS Number: 750647-96-2
| 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) | 0.06 | 5.51 | -12.51 | 0 | 3 | 0 | 27 | 160.176 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.06 | 6 | -29.29 | 1 | 3 | 1 | 28 | 161.184 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682-8-O | A549 (Lung Carcinoma Cells) (cluster #8 Of 11), Other | Other | 1000 | 0.70 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 1000 | 0.70 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.