| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2011 | 20 | No |
Popular Name: 4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-nitro-aniline 4-[[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) | 0.67 | 5.24 | -36.22 | 3 | 7 | 1 | 94 | 276.32 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.67 | 4.6 | -15.61 | 2 | 7 | 0 | 93 | 275.312 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 6.93 | -54.15 | 3 | 7 | 1 | 94 | 276.32 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
