| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 18 | Yes |
Popular Name: 2-fluoro-4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]aniline 2-fluoro-4-[[methyl-[(1-methylim…
| 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) | 0.88 | 3.79 | -10.83 | 2 | 4 | 0 | 47 | 248.305 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 4.43 | -31.33 | 3 | 4 | 1 | 48 | 249.313 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.88 | 6.12 | -44.84 | 3 | 4 | 1 | 48 | 249.313 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.88 | 6.75 | -109.16 | 4 | 4 | 2 | 50 | 250.321 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
