| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 12 | Yes |
Popular Name: N1-(3-Pyridinylmethyl)-1,3-propanediamine N1-(3-Pyridinylmethyl)-1,3-propa…
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CAS Numbers: 100553-71-7 , [100553-71-7]
| 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) | -0.66 | 0.12 | -46.05 | 4 | 3 | 1 | 53 | 166.248 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.66 | 1.17 | -43.86 | 4 | 3 | 1 | 56 | 166.248 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.66 | 1.54 | -114.44 | 5 | 3 | 2 | 57 | 167.256 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
