| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 14 | Yes |
Popular Name: 5-(Aminomethyl)-N-butyl-N-methyl-2-pyridinamine 5-(Aminomethyl)-N-butyl-N-methyl…
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CAS Numbers: 1016510-29-4 , N/A , [1016510-29-4]
| 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) | 1.77 | 4.79 | -46.74 | 3 | 3 | 1 | 44 | 194.302 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 5.11 | -101.98 | 4 | 3 | 2 | 45 | 195.31 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.