| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 17 | Yes |
Popular Name: (1S)-1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(2-methylimid…
| 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) | 2.29 | 7.82 | -49.46 | 2 | 3 | 1 | 34 | 250.753 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 6.65 | -6.2 | 1 | 3 | 0 | 30 | 249.745 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.29 | 8.29 | -81.92 | 3 | 3 | 2 | 36 | 251.761 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
