| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 18 | Yes |
Popular Name: 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]-3-piperidyl]acetic 2-[(3S)-1-[(1-ethylimidazol-2-yl…
| 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) | 0.57 | 6.99 | -59.27 | 1 | 5 | 0 | 62 | 251.33 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 6.53 | -47.46 | 0 | 5 | -1 | 61 | 250.322 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 8.75 | -56.53 | 1 | 5 | 0 | 62 | 251.33 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.57 | 9.16 | -112.6 | 2 | 5 | 1 | 64 | 252.338 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
