| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 32 | Yes |
Popular Name: (5R,8S,9S)-8-benzhydryl-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.2]nonan-9-amine (5R,8S,9S)-8-benzhydryl-N-[(2-me…
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| 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) | 5.60 | 15.47 | -99.18 | 3 | 3 | 2 | 30 | 428.62 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.60 | 14.94 | -32.31 | 2 | 3 | 1 | 26 | 427.612 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.60 | 13.95 | -30.56 | 2 | 3 | 1 | 29 | 427.612 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 34 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 34.3 | 0.33 | Binding ≤ 1μM |
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 34.3 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Tachykinin receptors bind tachykinins |
