| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 18 | No |
Popular Name: (4R)-4-(2-aminoethyl)-5-methyl-2-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-methyl-2…
| 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) | -0.78 | -0.56 | -62.99 | 3 | 6 | 1 | 94 | 274.366 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.78 | -0.95 | -14.58 | 2 | 6 | 0 | 93 | 273.358 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.78 | -0.81 | -13.37 | 2 | 6 | 0 | 93 | 273.358 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
