| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 16 | No |
Popular Name: (4R)-4-(2-aminoethyl)-5-tert-butyl-2-(2-hydroxyethyl)-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) | -0.05 | -0.42 | -50.68 | 4 | 5 | 1 | 81 | 228.316 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.05 | -0.8 | -9.56 | 3 | 5 | 0 | 79 | 227.308 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.05 | -0.81 | -8.31 | 3 | 5 | 0 | 79 | 227.308 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
