| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 16 | No |
Popular Name: (3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carbaldehyde (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) | 0.87 | 5.89 | -33.28 | 1 | 4 | 1 | 39 | 222.312 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 4.7 | -12.6 | 0 | 4 | 0 | 38 | 221.304 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.87 | 6.91 | -45.35 | 1 | 4 | 1 | 39 | 222.312 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
