| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 7th, 2011 | 23 | No |
Popular Name: (4-phenethylpiperazin-1-yl)-(2-sulfanyl-3-pyridyl)methanone (4-phenethylpiperazin-1-yl)-(2-s…
| 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) | 2.05 | 7.19 | -60.65 | 0 | 4 | -1 | 36 | 326.445 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 7.63 | -32.72 | 1 | 4 | 0 | 39 | 327.453 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 9.85 | -63.78 | 2 | 4 | 1 | 41 | 328.461 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
