| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 19 | Yes |
Popular Name: (2S,4R)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-cyclohexanone (2S,4R)-2-(3,4-dihydro-1H-isoqui…
| 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) | 2.69 | 10.69 | -35.8 | 1 | 2 | 1 | 22 | 258.385 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 8.88 | -6.43 | 0 | 2 | 0 | 20 | 257.377 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
