| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 18 | No |
Popular Name: (4R)-4-(3-aminopropyl)-5-methyl-2-(4-methyl-2-pyridyl)-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-methyl-…
| 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) | 0.73 | 4.75 | -52.17 | 3 | 5 | 1 | 73 | 247.322 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.73 | 5.17 | -83.25 | 4 | 5 | 2 | 74 | 248.33 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.73 | 5.13 | -83.24 | 4 | 5 | 2 | 74 | 248.33 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
