| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 17 | Yes |
Popular Name: 1-{4-nitro-3-methylbenzoyl}-4-(2-methoxyphenyl)piperazine 1-{4-nitro-3-methylbenzoyl}-4-(2…
| 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) | 2.07 | 8.46 | -29.04 | 2 | 3 | 1 | 33 | 232.351 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 6.22 | -5.72 | 1 | 3 | 0 | 32 | 231.343 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 6.57 | -33.04 | 2 | 3 | 1 | 33 | 232.351 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 8.33 | -95.39 | 3 | 3 | 2 | 34 | 233.359 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
