| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | Yes |
Popular Name: N-[(4-methyl-1H-imidazol-5-yl)methyl]isoquinolin-5-amine N-[(4-methyl-1H-imidazol-5-yl)me…
None
| 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) | 1.71 | 6.22 | -40.91 | 3 | 4 | 1 | 55 | 239.302 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 5.78 | -9.68 | 2 | 4 | 0 | 54 | 238.294 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 6.69 | -79.37 | 4 | 4 | 2 | 56 | 240.31 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
