| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 27 | Yes |
Popular Name: N-[4-chloro-3-(2-pyridyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide N-[4-chloro-3-(2-pyridyl)phenyl]…
| 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) | 4.20 | 8.95 | -14.97 | 1 | 4 | 0 | 55 | 391.78 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SHH-1-E | Sonic Hedgehog Protein (cluster #1 Of 2), Eukaryotic | Eukaryotes | 42 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SHH_MOUSE | Q62226 | Sonic Hedgehog Protein, Mouse | 42 | 0.38 | Binding ≤ 1μM |
| SHH_MOUSE | Q62226 | Sonic Hedgehog Protein, Mouse | 42 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class B/2 (Secretin family receptors) | |
| Hedgehog ligand biogenesis | |
| Hh ligand biogenesis disease | |
| Release of Hh-Np from the secreting cell |
