| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2009 | 27 | Yes |
Popular Name: 2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]-N-(4-pyridylmethyl)ethanamine 2-[2-(3,5-dimethylphenyl)-1H-ind…
| 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) | 4.66 | 10.54 | -7.77 | 2 | 3 | 0 | 41 | 355.485 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.66 | 11.96 | -49.18 | 3 | 3 | 1 | 45 | 356.493 | 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 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GNRHR_RAT | P30969 | Gonadotropin-releasing Hormone Receptor, Rat | 9000 | 0.26 | Binding ≤ 10μM |
