| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2008 | 20 | Yes |
Popular Name: 2-(Benzylamino)-6-iodoquinazolin-4(3H)-one 2-(Benzylamino)-6-iodoquinazolin…
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CAS Number: 359012-45-6
| 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) | 4.04 | 8.9 | -7.63 | 2 | 4 | 0 | 58 | 377.185 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 8700 | 0.35 | Functional ≤ 10μM |
| Z50597-10-O | Rattus Norvegicus (cluster #10 Of 12), Other | Other | 1400 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512 | Z50512 | Cavia Porcellus | 8700 | 0.35 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 1400 | 0.41 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.