| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 37 | Yes |
Popular Name: 5-methyl-N-[(2S)-2-(2-pyridylmethylamino)indan-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide 5-methyl-N-[(2S)-2-(2-pyridylmet…
| 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) | 6.04 | 13.47 | -12.49 | 2 | 4 | 0 | 54 | 501.552 | 7 | ↓ |
| Mid Mid (pH 6-8) | 6.04 | 14.68 | -46.82 | 3 | 4 | 1 | 59 | 502.56 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SMO-1-E | Smoothened Homolog (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8680 | 0.19 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SMO_MOUSE | P56726 | Smoothened Homolog, Mouse | 8680 | 0.19 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class B/2 (Secretin family receptors) |
