| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 9 | Yes |
Popular Name: 4-(Hydroxymethyl)pyridin-3-ol hydrochloride 4-(Hydroxymethyl)pyridin-3-ol hy…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 33349-67-6 , 67992-19-2 , [33349-67-6] , [67992-19-2]
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| 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) | -0.09 | -2.18 | -34.17 | 3 | 3 | 1 | 55 | 126.135 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.09 | -1.54 | -26.81 | 2 | 3 | 0 | 57 | 125.127 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.09 | -2 | -40.72 | 1 | 3 | -1 | 56 | 124.119 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.09 | -2.64 | -10.26 | 2 | 3 | 0 | 53 | 125.127 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.