| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 28 | Yes |
Popular Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-methylsulfanylphenyl)benzamide 4-(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) | 4.46 | 11.14 | -11.73 | 1 | 3 | 0 | 32 | 388.536 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.46 | 13.43 | -53.04 | 2 | 3 | 1 | 34 | 389.544 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
