| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 28 | Yes |
Popular Name: 4-[[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethylamino]methyl]phenol 4-[[2-[2-(3,5-dimethylphenyl)-1H…
| 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) | 5.47 | 10.82 | -47.77 | 4 | 3 | 1 | 53 | 371.504 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.47 | 9.41 | -9.94 | 3 | 3 | 0 | 48 | 370.496 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GNRHR-1-E | Gonadotropin-releasing Hormone Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9000 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GNRHR_RAT | P30969 | Gonadotropin-releasing Hormone Receptor, Rat | 9000 | 0.25 | Binding ≤ 10μM |
