| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2011 | 19 | Yes |
Popular Name: [4-(3,3-dimethylbutyl)piperazin-1-yl]-(1H-triazol-4-yl)methanone [4-(3,3-dimethylbutyl)piperazin-…
| 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) | 1.33 | 2.78 | -6.23 | 1 | 6 | 0 | 65 | 265.361 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 2.75 | -35.18 | 0 | 6 | -1 | 63 | 264.353 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 4.94 | -41.34 | 2 | 6 | 1 | 66 | 266.369 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
