| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 18 | Yes |
Popular Name: [1-(4-Methoxy-phenyl)-ethyl]-pyridin-4-ylmethyl-amine [1-(4-Methoxy-phenyl)-ethyl]-pyr…
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CAS Number: 626216-12-4
| 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) | 2.22 | 0.12 | -48.48 | 2 | 3 | 1 | 38 | 243.33 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.22 | 0.23 | -107.26 | 3 | 3 | 2 | 39 | 244.338 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
