| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 20 | No |
Popular Name: (4R)-4-(2-aminoethyl)-5-isopropyl-2-(m-tolylmethyl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-isopropy…
| 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) | 1.83 | 6.33 | -49.04 | 3 | 4 | 1 | 60 | 274.388 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 5.94 | -8.59 | 2 | 4 | 0 | 59 | 273.38 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 5.94 | -7.36 | 2 | 4 | 0 | 59 | 273.38 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
