| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 17 | Yes |
Popular Name: (3S)-1-(2-imidazol-1-ylethyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(2-imidazol-1-ylethyl)-3-…
| 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) | 0.29 | 8.92 | -61.33 | 1 | 5 | 0 | 62 | 237.303 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.29 | 7.07 | -50.15 | 0 | 5 | -1 | 61 | 236.295 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.29 | 9.43 | -104.54 | 2 | 5 | 1 | 64 | 238.311 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
