In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 26th, 2011 | 18 | No |
Popular Name: 8-(3-methylbut-2-enoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-(3-methylbut-2-enoyl)-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) | 0.42 | 1.18 | -11.94 | 2 | 6 | 0 | 79 | 251.286 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.60 | -1.45 | -44.66 | 1 | 6 | -1 | 85 | 250.278 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.