| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 6th, 2011 | 20 | No |
Popular Name: (1E)-4-ethyl-N-(3-nitrophenyl)piperazine-1-carboximidothioic (1E)-4-ethyl-N-(3-nitrophenyl)pi…
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) | -1.75 | 9.31 | -56.12 | 2 | 6 | 1 | 65 | 295.388 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 8.95 | -51.49 | 1 | 6 | 0 | 66 | 294.38 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
