| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2004 | 17 | Yes |
Popular Name: 2-{[(1-phenylethyl)amino]methyl}phenol 2-{[(1-phenylethyl)amino]methyl}…
Find On: PubMed — Wikipedia — Google
CAS Number: 128386-95-8
| 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) | 3.39 | 6.08 | -37.57 | 3 | 2 | 1 | 37 | 228.315 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 4.95 | -5.12 | 2 | 2 | 0 | 32 | 227.307 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0508307A2; EP0508307B1; US5298660; US5510519 | IBM Patent Data |
