| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 16 | Yes |
Popular Name: [(3S)-1-[(1-ethylimidazol-2-yl)methyl]-3-piperidyl]methanol [(3S)-1-[(1-ethylimidazol-2-yl)m…
| 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) | 0.42 | 3.53 | -30.12 | 2 | 4 | 1 | 43 | 224.328 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 2.33 | -9.24 | 1 | 4 | 0 | 41 | 223.32 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.42 | 5.27 | -103.71 | 3 | 4 | 2 | 44 | 225.336 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.42 | 4.54 | -38.85 | 2 | 4 | 1 | 42 | 224.328 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
