| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 20 | No |
Popular Name: (2S)-2-[5-(2-nitrophenyl)-1H-imidazol-2-yl]piperidine (2S)-2-[5-(2-nitrophenyl)-1H-imi…
| 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) | 2.27 | 7.37 | -38.84 | 3 | 6 | 1 | 91 | 273.316 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 6.28 | -13.98 | 2 | 6 | 0 | 87 | 272.308 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.27 | 7.87 | -112.24 | 4 | 6 | 2 | 92 | 274.324 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
