| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 21 | Yes |
Popular Name: 2-[(1R)-1-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole 2-[(1R)-1-[4-(3,3-dimethylbutyl)…
| 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) | 1.78 | 3.68 | -38.31 | 1 | 5 | 1 | 47 | 295.451 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 0.95 | -7.24 | 0 | 5 | 0 | 45 | 294.443 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
