| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 25 | No |
Popular Name: 1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]cyclohexanecarboxamide 1-[4-[(2-nitrophenyl)methyl]pipe…
| 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) | 2.25 | 4.26 | -12.08 | 2 | 7 | 0 | 95 | 346.431 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 6.2 | -47.62 | 3 | 7 | 1 | 97 | 347.439 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.25 | 6.28 | -47.01 | 3 | 7 | 1 | 97 | 347.439 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
