| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2011 | 18 | Yes |
Popular Name: 2-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]aniline 2-methyl-5-[[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) | 1.16 | 4.49 | -9.34 | 2 | 4 | 0 | 47 | 244.342 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 5.13 | -29.75 | 3 | 4 | 1 | 48 | 245.35 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 6.81 | -40.56 | 3 | 4 | 1 | 48 | 245.35 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
