| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2011 | 19 | Yes |
Popular Name: 4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-propyl-thiadiazol-5-amine 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) | 0.99 | 5.66 | -110.87 | 3 | 6 | 2 | 61 | 282.417 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.99 | 3.36 | -35.75 | 2 | 6 | 1 | 60 | 281.409 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.99 | 3.13 | -10.46 | 1 | 6 | 0 | 59 | 280.401 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 5.46 | -41.94 | 2 | 6 | 1 | 60 | 281.409 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
