| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 19 | No |
Popular Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-propyl-1,2,4-triazole-3-thiol 5-(3,4-dihydro-1H-isoquinolin-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) | 2.14 | 11.38 | -10.74 | 1 | 4 | 0 | 37 | 274.393 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 11.54 | -45.46 | 0 | 4 | -1 | 34 | 273.385 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
