| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 19 | No |
Popular Name: (4R)-4-(2-aminoethyl)-5-ethyl-2-[(3-fluorophenyl)methyl]-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-ethyl-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) | 1.30 | 5.12 | -50.73 | 3 | 4 | 1 | 60 | 264.324 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.30 | 4.73 | -8.73 | 2 | 4 | 0 | 59 | 263.316 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.30 | 4.73 | -7.53 | 2 | 4 | 0 | 59 | 263.316 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
