| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 18 | Yes |
Popular Name: (1S)-1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(4,5-dimethyl…
| 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) | 2.65 | 9.24 | -49.19 | 2 | 3 | 1 | 34 | 264.78 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.65 | 8.08 | -6.31 | 1 | 3 | 0 | 30 | 263.772 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 9.7 | -82.82 | 3 | 3 | 2 | 36 | 265.788 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
