| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 17 | Yes |
Popular Name: (3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carboxylic (3S)-1-[(1-ethylimidazol-2-yl)me…
| 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) | 0.30 | 8.49 | -97.6 | 2 | 5 | 1 | 64 | 238.311 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | 5.55 | -49.53 | 0 | 5 | -1 | 61 | 236.295 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | 6.74 | -56.24 | 1 | 5 | 0 | 62 | 237.303 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.30 | 7.76 | -46.66 | 1 | 5 | 0 | 62 | 237.303 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
