| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 25 | No |
Popular Name: 2-Chloro-9-[(4-methylphenyl)methyl]-n-phenyl-purin-6-amine 2-Chloro-9-[(4-methylphenyl)meth…
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CAS Number: 125802-42-8
| 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) | 5.85 | -0.04 | -11.66 | 1 | 5 | 0 | 55 | 349.825 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50129-1-O | Human Rhinovirus 4 (cluster #1 Of 1), Other | Other | 6400 | 0.29 | Functional ≤ 10μM |
| Z50622-1-O | Human Rhinovirus 1B (cluster #1 Of 2), Other | Other | 1000 | 0.34 | Functional ≤ 10μM |
| Z50674-1-O | Human Rhinovirus 2 (cluster #1 Of 1), Other | Other | 3900 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50622 | Z50622 | Human Rhinovirus 1B | 1000 | 0.34 | Functional ≤ 10μM |
| Z50674 | Z50674 | Human Rhinovirus 2 | 3900 | 0.30 | Functional ≤ 10μM |
| Z50129 | Z50129 | Human Rhinovirus 4 | 6400 | 0.29 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.