| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 16 | Yes |
Popular Name: 1-[(1R)-1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperazine 1-[(1R)-1-(5-ethyl-2-methyl-1,2,…
| 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) | -0.12 | 2.48 | -45.37 | 2 | 5 | 1 | 51 | 224.332 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.12 | 1.11 | -8.09 | 1 | 5 | 0 | 46 | 223.324 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.12 | 3.37 | -89.55 | 3 | 5 | 2 | 52 | 225.34 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
