| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 19 | No |
Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-thiazol-2-yl-acetamide 2-(3,4-dihydro-1H-isoquinolin-2-…
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) | 1.78 | 4.53 | -44.53 | 0 | 4 | -1 | 52 | 272.353 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 5.28 | -15.81 | 1 | 4 | 0 | 45 | 273.361 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 6.86 | -37.63 | 1 | 4 | 0 | 53 | 273.361 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 7.48 | -49.15 | 2 | 4 | 1 | 46 | 274.369 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 6.75 | -34.28 | 2 | 4 | 1 | 50 | 274.369 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.