| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 19 | Yes |
Popular Name: 3-fluoro-4-[[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]methyl]benzonitrile 3-fluoro-4-[[[(1S)-2-imidazol-1-…
| 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) | 1.36 | 8.83 | -52.59 | 2 | 4 | 1 | 58 | 259.308 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 7.59 | -9.24 | 1 | 4 | 0 | 54 | 258.3 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 9.34 | -114.26 | 3 | 4 | 2 | 59 | 260.316 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 8.1 | -41.28 | 2 | 4 | 1 | 55 | 259.308 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
