| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2011 | 22 | No |
Popular Name: 4-[[[(3R)-1,1-dioxothiolan-3-yl]amino]methyl]-2-isobutyl-N,N,5-trimethyl-pyrazol-3-amine 4-[[[(3R)-1,1-dioxothiolan-3-yl]…
| 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) | 0.96 | 3.5 | -38.56 | 2 | 6 | 1 | 68 | 329.49 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 3.96 | -13.52 | 1 | 6 | 0 | 67 | 328.482 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 5.17 | -121.51 | 3 | 6 | 2 | 73 | 330.498 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
