| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 33 | No |
Popular Name: ethynyl(dimethyl)BLAHol ethynyl(dimethyl)BLAHol
| 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) | 5.99 | 14.04 | -16.82 | 1 | 4 | 0 | 50 | 439.603 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 5.99 | 14.52 | -27.85 | 2 | 4 | 1 | 52 | 440.611 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK1R-2-E | Neurokinin 1 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 50 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK1R_RAT | P14600 | Neurokinin 1 Receptor, Rat | 24 | 0.32 | Binding ≤ 1μM |
| NK1R_RAT | P14600 | Neurokinin 1 Receptor, Rat | 24 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Tachykinin receptors bind tachykinins |
