| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 23 | Yes |
Popular Name: (2S,3S)-N-[(5-chloro-2-methoxy-phenyl)methyl]-2-phenyl-piperidin-3-amine (2S,3S)-N-[(5-chloro-2-methoxy-p…
| 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) | 3.92 | 8.7 | -37.95 | 3 | 3 | 1 | 38 | 331.867 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 7.38 | -3.01 | 2 | 3 | 0 | 33 | 330.859 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.92 | 8.33 | -30.81 | 3 | 3 | 1 | 38 | 331.867 | 5 | ↓ |
| 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 | 0.14 | 0.60 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Tachykinin receptors bind tachykinins |
