| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 18 | Yes |
Popular Name: (4-isopentylpiperazin-1-yl)-(1H-triazol-4-yl)methanone (4-isopentylpiperazin-1-yl)-(1H-…
| 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) | 1.01 | 2.4 | -6.25 | 1 | 6 | 0 | 65 | 251.334 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.01 | 2.38 | -35.25 | 0 | 6 | -1 | 63 | 250.326 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 4.6 | -42.68 | 2 | 6 | 1 | 66 | 252.342 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
