| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 7th, 2011 | 18 | No |
Popular Name: (1E)-N-(4-chlorophenyl)-4-ethyl-piperazine-1-carboximidothioic (1E)-N-(4-chlorophenyl)-4-ethyl-…
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) | -1.00 | 9.13 | -48.35 | 2 | 3 | 1 | 19 | 284.836 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.00 | 6.9 | -8.92 | 1 | 3 | 0 | 18 | 283.828 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 8.75 | -46 | 1 | 3 | 0 | 20 | 283.828 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
