| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 17 | Yes |
3-(2-Dimethylamino-ethyl)-1,3,8-tri; aza-spiro[4.5]decane-2,4-dione
3-(2-Dimethylamino-ethyl)-1,3,8-triaza-spiro[4.5]decane-2,4-dione
None
| 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) | -1.27 | -1.05 | -86.02 | 4 | 6 | 2 | 74 | 242.323 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.90 | 0.01 | -53.1 | 3 | 6 | 1 | 69 | 241.315 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.27 | -2.4 | -38.8 | 3 | 6 | 1 | 69 | 241.315 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.27 | -4.88 | -5.71 | 2 | 6 | 0 | 68 | 240.307 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.27 | -3.53 | -39.94 | 3 | 6 | 1 | 73 | 241.315 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.90 | 2.48 | -93.4 | 4 | 6 | 2 | 70 | 242.323 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.