| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 17 | Yes |
Popular Name: 2-{4-[5-(Aminomethyl)-2-pyridinyl]-1-piperazinyl}-1-ethanol 2-{4-[5-(Aminomethyl)-2-pyridiny…
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CAS Numbers: 1156923-43-1 , N/A , [1156923-43-1]
2-(4-(5-(Aminomethyl)pyridin-2-yl)piperazin-1-yl)ethanol
| 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) | -0.41 | -0.68 | -49 | 4 | 5 | 1 | 67 | 237.327 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.41 | -0.36 | -104.98 | 5 | 5 | 2 | 68 | 238.335 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.41 | 1.63 | -88.38 | 5 | 5 | 2 | 68 | 238.335 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.41 | 1.95 | -172.9 | 6 | 5 | 3 | 70 | 239.343 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.