| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 4th, 2006 | 11 | No |
Popular Name: 545-55-1; APO; C19543; TEPA; Tris(1-aziridinyl)phosphine oxide 545-55-1; APO; C19543; TEPA; Tri…
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CAS Number: 545-55-1
| 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) | -0.71 | -5.66 | -11 | 0 | 4 | 0 | 26 | 173.156 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-3-E | Dopamine D1 Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 430 | 0.81 | Binding ≤ 10μM |
| DRD2-24-E | Dopamine D2 Receptor (cluster #24 Of 24), Eukaryotic | Eukaryotes | 220 | 0.85 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 430 | 0.81 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 220 | 0.85 | Binding ≤ 1μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 430 | 0.81 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 220 | 0.85 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
No pre-computed analogs available. Try a structural similarity search.