| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 16 | Yes |
Popular Name: C-(2,5-Dimethyl-phenyl)-C-pyridin-4-yl-methylamine C-(2,5-Dimethyl-phenyl)-C-pyridi…
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CAS Numbers: 889939-63-3 , [889939-63-3]
| 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) | 2.44 | 5.56 | -51.33 | 3 | 2 | 1 | 41 | 213.304 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.44 | 5.84 | -110.51 | 4 | 2 | 2 | 42 | 214.312 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.