| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 20 | No |
Popular Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzenecarbothioamide 4-(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) | 2.93 | 7.37 | -16.13 | 2 | 2 | 0 | 29 | 282.412 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 9.71 | -59.09 | 3 | 2 | 1 | 30 | 283.42 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
