| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 18 | Yes |
Popular Name: 2-[2-(2-methylimidazol-1-yl)ethyl]isoindolin-4-amine 2-[2-(2-methylimidazol-1-yl)ethy…
| 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) | 0.53 | 6.9 | -50.41 | 3 | 4 | 1 | 48 | 243.334 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 4.82 | -29.83 | 3 | 4 | 1 | 48 | 243.334 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 4.34 | -8.13 | 2 | 4 | 0 | 47 | 242.326 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.53 | 7.37 | -98.24 | 4 | 4 | 2 | 50 | 244.342 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
