| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 21 | Yes |
Popular Name: 4-[(4-chlorophenyl)sulfonyl]-3-methyl-3,4-dihydro-2H-1,4-benzoxazine 4-[(4-chlorophenyl)sulfonyl]-3-m…
Find On: PubMed — Wikipedia — Google
CAS Number: 338747-51-6
| 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) | 3.83 | 6.38 | -8.69 | 0 | 4 | 0 | 47 | 323.801 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 87 - 89 | KeyOrganics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512-6-O | Cavia Porcellus (cluster #6 Of 7), Other | Other | 730 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512 | Z50512 | Cavia Porcellus | 730 | 0.41 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.