| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 21 | No |
Popular Name: (2S)-2-[5-(4-methyl-3-nitro-phenyl)-1H-imidazol-2-yl]piperidine (2S)-2-[5-(4-methyl-3-nitro-phen…
| 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) | 2.69 | 7.76 | -45.06 | 3 | 6 | 1 | 91 | 287.343 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 6.72 | -14.37 | 2 | 6 | 0 | 87 | 286.335 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 8.25 | -122.69 | 4 | 6 | 2 | 92 | 288.351 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
