| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 19 | No |
Popular Name: (4R)-4-(2-aminoethyl)-2-(4-methyl-2-pyridyl)-5-propyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-(4-methy…
| 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) | 1.52 | 5.55 | -54.72 | 3 | 5 | 1 | 73 | 261.349 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 5.16 | -15.14 | 2 | 5 | 0 | 72 | 260.341 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 5.16 | -13.38 | 2 | 5 | 0 | 72 | 260.341 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.52 | 5.97 | -88.58 | 4 | 5 | 2 | 74 | 262.357 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.52 | 5.97 | -88.54 | 4 | 5 | 2 | 74 | 262.357 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
