| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 18 | Yes |
Popular Name: Benzeneethanamine, N-methyl-4-(phenylmethoxy)-, hydrochloride (1:1) Benzeneethanamine, N-methyl-4-(p…
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CAS Numbers: 24958-41-6 , 38961-21-6
| 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) | 3.55 | 8.48 | -43.43 | 2 | 2 | 1 | 26 | 242.342 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TAAR1-2-E | Trace Amine-associated Receptor 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 119 | 0.54 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TAAR1_RAT | Q923Y9 | Trace Amine-associated Receptor1, Rat | 119 | 0.54 | Functional ≤ 10μM |
| TAAR1_MOUSE | Q923Y8 | Trace Amine-associated Receptor1, Mouse | 54 | 0.57 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Amine ligand-binding receptors | |
| G alpha (s) signalling events |
No pre-computed analogs available. Try a structural similarity search.