| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 11 | No |
Popular Name: 4-(hydroxymethyl)-1,2,5-Oxadiazole-3-carboxamide 2-oxide 4-(hydroxymethyl)-1,2,5-Oxadiazo…
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CAS Number: 158590-73-9
| 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) | -1.01 | -3.17 | -8.63 | 3 | 7 | 0 | 114 | 159.101 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1D-2-E | Alpha-1d Adrenergic Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 6300 | 0.66 | Functional ≤ 10μM |
| ADRB2-2-E | Beta-2 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6300 | 0.66 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1D_RAT | P23944 | Alpha-1d Adrenergic Receptor, Rat | 6300 | 0.66 | Functional ≤ 10μM |
| ADRB2_RAT | P10608 | Beta-2 Adrenergic Receptor, Rat | 6300 | 0.66 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.