| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 19 | Yes |
Popular Name: 2-[(1R)-1-(3-methyl-2-thienyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine 2-[(1R)-1-(3-methyl-2-thienyl)et…
| 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) | 3.40 | 8.62 | -33.58 | 3 | 2 | 1 | 30 | 273.425 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 6.38 | -4.81 | 2 | 2 | 0 | 29 | 272.417 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
