In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2011 | 21 | Yes |
Popular Name: 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone 2-(1,4-dioxa-8-azaspiro[4.5]deca…
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) | 1.12 | 5.78 | -9.64 | 0 | 5 | 0 | 44 | 292.379 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.12 | 7.95 | -34.84 | 1 | 5 | 1 | 45 | 293.387 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.