| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | No |
Popular Name: [(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-(3,4-dihydro-1H-isoquino…
| 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) | 0.13 | 1.42 | -64.22 | 3 | 4 | 1 | 65 | 281.401 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.13 | 0.6 | -11.9 | 2 | 4 | 0 | 63 | 280.393 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
