| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 24 | Yes |
Popular Name: (3-ethyl-4-methyl-1H-pyrazol-5-yl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone (3-ethyl-4-methyl-1H-pyrazol-5-y…
None
| 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) | 2.60 | 6.2 | -9.12 | 1 | 5 | 0 | 52 | 330.407 | 4 | ↓ |
| Ref Reference (pH 7) | 2.60 | 6.69 | -10.04 | 1 | 5 | 0 | 52 | 330.407 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 8.41 | -51.7 | 2 | 5 | 1 | 53 | 331.415 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 8.92 | -46.3 | 2 | 5 | 1 | 53 | 331.415 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
