| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 19 | Yes |
Popular Name: 5-oxo-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-dihydro-1,2,4-triazole-3-carboxamide 5-oxo-N-[(1S)-1-(1,3,5-trimethyl…
| 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) | -0.89 | 0.38 | -12.13 | 3 | 8 | 0 | 108 | 264.289 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | -2.17 | -48.28 | 2 | 8 | -1 | 112 | 263.281 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.43 | -1.08 | -26.27 | 3 | 8 | 0 | 113 | 264.289 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
