| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 20 | Yes |
Popular Name: 4-(2,4-dichlorobenzyl)-1(2H)-phthalazinone 4-(2,4-dichlorobenzyl)-1(2H)-pht…
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CAS Number: 320417-77-4
| 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) | 4.67 | 7.6 | -12.53 | 1 | 3 | 0 | 46 | 305.164 | 2 | ↓ |
| Hi High (pH 8-9.5) | 5.12 | 5.65 | -55.05 | 0 | 3 | -1 | 49 | 304.156 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 237 - 239 | KeyOrganics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1D-4-E | Alpha-1d Adrenergic Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 10000 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1D_RAT | P23944 | Alpha-1d Adrenergic Receptor, Rat | 10000 | 0.35 | Functional ≤ 10μM |
