| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 18 | Yes |
Popular Name: (4S)-4-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline (4S)-4-[(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) | 2.19 | 8.2 | -31.43 | 2 | 3 | 1 | 31 | 242.346 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 7.41 | -7.57 | 1 | 3 | 0 | 30 | 241.338 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.19 | 8.66 | -87.66 | 3 | 3 | 2 | 36 | 243.354 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
