| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2006 | 21 | Yes |
Popular Name: 6,7-DIMETHYL-2,4-DI-1-PYRROLIDINYL-7H-PYRROLO[2,3-D]PYRIMIDINE HYDROCHLORIDE 6,7-DIMETHYL-2,4-DI-1-PYRROLIDIN…
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CAS Number: 157013-32-6
| 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) | 2.83 | -3.38 | -10.15 | 0 | 5 | 0 | 37 | 285.395 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 7000 | 0.34 | Functional ≤ 10μM |
| Z50597-3-O | Rattus Norvegicus (cluster #3 Of 12), Other | Other | 1000 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594 | Z50594 | Mus Musculus | 7000 | 0.34 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 1000 | 0.40 | Functional ≤ 10μM |
