| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 15 | Yes |
Popular Name: 4-[5-(Aminomethyl)-2-pyridinyl]-2-piperazinone 4-[5-(Aminomethyl)-2-pyridinyl]-…
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CAS Numbers: 926245-52-5 , N/A
| 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) | -0.20 | -0.86 | -54.86 | 4 | 5 | 1 | 73 | 207.257 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.20 | -0.6 | -118.64 | 5 | 5 | 2 | 74 | 208.265 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.