| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2006 | 12 | Yes |
Popular Name: 3-phenyl-3-pentylamine hydrochloride 3-phenyl-3-pentylamine hydrochlo…
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CAS Numbers: 104177-96-0 , [104177-96-0]
| 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) | 3.13 | -0.31 | -40.04 | 3 | 1 | 1 | 27 | 164.272 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302-1-O | Glutamate NMDA Receptor (cluster #1 Of 7), Other | Other | 6000 | 0.61 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302 | Z104302 | Glutamate NMDA Receptor | 6000 | 0.61 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.