| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 26 | Yes |
Popular Name: 4-Anilino-1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinoline 4-Anilino-1-benzoyl-2-methyl-1,2…
Find On: PubMed — Wikipedia — Google
CAS Number: 857-45-4
| 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) | 4.93 | -0.05 | -6.99 | 1 | 3 | 0 | 32 | 342.442 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ECR-1-E | Ecdysone Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1120 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ECR_AEDAE | P49880 | Ecdysone Receptor, Aedae | 1120 | 0.32 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.