| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2011 | 18 | Yes |
Popular Name: 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile 3-[[methyl-[(1-methylimidazol-2-…
| 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) | 1.03 | 6.85 | -34.73 | 1 | 4 | 1 | 46 | 241.318 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 6.2 | -12.79 | 0 | 4 | 0 | 45 | 240.31 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | 8.54 | -52.26 | 1 | 4 | 1 | 46 | 241.318 | 4 | ↓ |
