| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 19 | No |
Popular Name: (4S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1,2,3,4-tetrahydroisoquinolin-4-amine (4S)-N-[(3R)-1,1-dioxothiolan-3-…
| 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) | 0.82 | 2.46 | -52.55 | 2 | 4 | 1 | 51 | 281.401 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 0.63 | -11.65 | 1 | 4 | 0 | 49 | 280.393 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 2.05 | -59.19 | 2 | 4 | 1 | 54 | 281.401 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
