| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 17 | No |
Popular Name: (3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pentanethioamide (3S)-3-(3,4-dihydro-1H-isoquinol…
| 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) | 1.79 | 7.06 | -35.77 | 3 | 2 | 1 | 30 | 249.403 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 6.29 | -7.95 | 2 | 2 | 0 | 29 | 248.395 | 4 | ↓ |
