| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2011 | 18 | Yes |
Popular Name: N-ethyl-4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]thiadiazol-5-amine N-ethyl-4-[[methyl-[(1-methylimi…
| 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) | 0.49 | 4.9 | -109.87 | 3 | 6 | 2 | 61 | 268.39 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 2.38 | -10.72 | 1 | 6 | 0 | 59 | 266.374 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 2.6 | -35.7 | 2 | 6 | 1 | 60 | 267.382 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 4.71 | -41.66 | 2 | 6 | 1 | 60 | 267.382 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
