In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 21 | No |
Popular Name: 8-[2-(2-pyridyl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-[2-(2-pyridyl)acetyl]-1,3,8-tr…
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) | -0.62 | 1.28 | -18.17 | 2 | 7 | 0 | 91 | 288.307 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.44 | -1.36 | -50.9 | 1 | 7 | -1 | 98 | 287.299 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.