In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 23 | Yes |
Popular Name: 6-[(2S)-4-oxaspiro[4.4]nonan-2-yl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(2S)-4-oxaspiro[4.4]nonan-2-y…
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) | 1.04 | 5.41 | -19.85 | 1 | 6 | 0 | 88 | 311.341 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.94 | 3.44 | -44.57 | 0 | 6 | -1 | 91 | 310.333 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.