| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 17 | Yes |
Popular Name: (2R,5R)-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-2-carboxamide (2R,5R)-5-methyl-N-[(4-methyl-1,…
| 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) | -1.81 | 0.69 | -49.61 | 4 | 7 | 1 | 88 | 239.303 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.81 | -0.58 | -13.25 | 3 | 7 | 0 | 84 | 238.295 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
