| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 21 | No |
Popular Name: (4R)-4-(2-aminoethyl)-5-tert-butyl-2-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-tert-but…
| 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) | 0.55 | 1.39 | -57.67 | 3 | 6 | 1 | 94 | 316.447 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 1.01 | -13.44 | 2 | 6 | 0 | 93 | 315.439 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 1.01 | -14.48 | 2 | 6 | 0 | 93 | 315.439 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
