| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2012 | 27 | Yes |
Popular Name: 3-Benzhydryl-1-benzylpiperidin-4-one 3-Benzhydryl-1-benzylpiperidin-4…
Find On: PubMed — Wikipedia — Google
CAS Number: 562838-53-3
| 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) | 4.60 | 12.52 | -6.08 | 0 | 2 | 0 | 20 | 355.481 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.60 | 14.72 | -46.71 | 1 | 2 | 1 | 22 | 356.489 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 97 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 97 | 0.36 | Binding ≤ 1μM |
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 97 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Tachykinin receptors bind tachykinins |
No pre-computed analogs available. Try a structural similarity search.