| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: 6,7-dimethoxy-2-[(3S,6R)-6-methyl-3-piperidyl]-3,4-dihydro-1H-isoquinoline 6,7-dimethoxy-2-[(3S,6R)-6-methy…
| 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) | 1.86 | 4.82 | -45.26 | 2 | 4 | 1 | 38 | 291.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 5.79 | -42.08 | 2 | 4 | 1 | 35 | 291.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 3.56 | -6.23 | 1 | 4 | 0 | 34 | 290.407 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 7.04 | -121.99 | 3 | 4 | 2 | 40 | 292.423 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
