| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 17 | Yes |
Popular Name: 1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]piperazine 1-[(5-tert-butyl-2-methyl-1,2,4-…
| 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) | 0.48 | 3.16 | -47.17 | 2 | 5 | 1 | 51 | 238.359 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 1.8 | -7.83 | 1 | 5 | 0 | 46 | 237.351 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.48 | 3.61 | -89.53 | 3 | 5 | 2 | 52 | 239.367 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
