| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 18 | Yes |
Popular Name: (2R,5S)-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide (2R,5S)-5-methyl-N-[(1S)-1-(4-me…
| 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) | -1.25 | 1.26 | -44.11 | 4 | 7 | 1 | 88 | 253.33 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.25 | -0.01 | -10.95 | 3 | 7 | 0 | 84 | 252.322 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
