| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 7th, 2011 | 19 | No |
Popular Name: (1E)-4-methyl-N-(4-nitrophenyl)piperazine-1-carboximidothioic (1E)-4-methyl-N-(4-nitrophenyl)p…
| 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) | -2.10 | 8.65 | -56.35 | 2 | 6 | 1 | 65 | 281.361 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 8.3 | -47.16 | 1 | 6 | 0 | 66 | 280.353 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
