| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 15 | Yes |
Popular Name: PPP hydrochloride PPP hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1261268-90-9 , 21602-56-2 , 92321-29-4
1-(1-Methyl-1-phenylethyl)piperidine
1-(2-Phenylpropan-2-yl)piperidine
2-Methylpyrimidine-5-boronic Acid Pinacol Ester; >
2-PHENYL-2-1-PIPERDINYLPROPANE; 2-phenyl-2-(1-piperdinyl)propane; PPP
| 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) | 3.65 | 2.33 | -28.61 | 1 | 1 | 1 | 4 | 204.337 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2B6-2-E | Cytochrome P450 2B6 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1200 | 0.55 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2B6_HUMAN | P20813 | Cytochrome P450 2B6, Human | 1200 | 0.55 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| CYP2E1 reactions | |
| Fatty acids | |
| Xenobiotics |
