| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2009 | 24 | Yes |
Popular Name: (2S,3S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenyl-piperidin-3-amine (2S,3S)-N-[(2,5-dimethoxyphenyl)…
| 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) | 3.29 | 7.53 | -39.88 | 3 | 4 | 1 | 47 | 327.448 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 7.1 | -29.71 | 3 | 4 | 1 | 47 | 327.448 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.29 | 8.39 | -110.87 | 4 | 4 | 2 | 52 | 328.456 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 0.1 | 0.58 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Tachykinin receptors bind tachykinins |
