| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 37 | Yes |
Popular Name: (2S)-N-(3-morpholinopropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenyl-propanamide (2S)-N-(3-morpholinopropyl)-2-[(…
| 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) | 4.22 | 7.45 | -15.75 | 3 | 8 | 0 | 92 | 502.615 | 11 | ↓ |
| Mid Mid (pH 6-8) | 4.22 | 9.79 | -56.23 | 4 | 8 | 1 | 93 | 503.623 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK2R-1-E | Neurokinin 2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 200 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK2R_HUMAN | P21452 | Neurokinin 2 Receptor, Human | 200 | 0.25 | Binding ≤ 1μM |
| NK2R_HUMAN | P21452 | Neurokinin 2 Receptor, Human | 200 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Tachykinin receptors bind tachykinins |
