| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 24 | Yes |
Popular Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methylsulfanyl-pyrimidine-5-carbonitrile 4-[4-[(3-fluorophenyl)methyl]pip…
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| 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) | 2.29 | 11.07 | -45.58 | 1 | 5 | 1 | 57 | 344.439 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 8.84 | -7.97 | 0 | 5 | 0 | 56 | 343.431 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
