| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 16 | Yes |
Popular Name: 4-(3-aminopropyl)-3-pyridin-4-ylisoxazol-5(2H)-one hydrochloride 4-(3-aminopropyl)-3-pyridin-4-yl…
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CAS Number: 1177348-57-0
4-(3-aminopropyl)-3-(4-pyridyl)-5(2H)-isoxazolone
4-(3-aminopropyl)-3-(pyridin-4-yl)-1,2-oxazol-5(2H)-one
| 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) | 0.14 | 2.17 | -61.96 | 3 | 5 | 0 | 90 | 219.244 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.14 | 2.63 | -103.38 | 4 | 5 | 1 | 91 | 220.252 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.