| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2008 | 16 | Yes |
Popular Name: 4-(3-aminopropyl)-3-pyridin-4-ylisoxazol-5(2H)-one hydrochloride 4-(3-aminopropyl)-3-pyridin-4-yl…
| 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) | -0.32 | 3.63 | -50.16 | 4 | 5 | 1 | 87 | 220.252 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.32 | 3.91 | -111.1 | 5 | 5 | 2 | 88 | 221.26 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
