| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 22 | Yes |
Popular Name: [(3S)-3-(2-fluorophenyl)-4-methyl-piperazin-1-yl]-(4-pyridyl)methanone [(3S)-3-(2-fluorophenyl)-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) | 1.20 | 6.05 | -9.28 | 0 | 4 | 0 | 36 | 299.349 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 7.97 | -46.92 | 1 | 4 | 1 | 38 | 300.357 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
