| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 18 | Yes |
Popular Name: 1-[4-(4-isoquinolyl)-2-thienyl]-N-methyl-methanamine 1-[4-(4-isoquinolyl)-2-thienyl]-…
| 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) | 3.38 | 7.51 | -42.54 | 2 | 2 | 1 | 29 | 255.366 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 6.06 | -5.89 | 1 | 2 | 0 | 25 | 254.358 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.38 | 7.97 | -88.22 | 3 | 2 | 2 | 31 | 256.374 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
