| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 17 | Yes |
Popular Name: 2-[(3R,6S)-6-methyl-3-piperidyl]-3,4-dihydro-1H-isoquinoline 2-[(3R,6S)-6-methyl-3-piperidyl]…
| 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) | 2.24 | 5.42 | -39.96 | 2 | 2 | 1 | 20 | 231.363 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 4.18 | -2.19 | 1 | 2 | 0 | 15 | 230.355 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.24 | 7.84 | -113.07 | 3 | 2 | 2 | 21 | 232.371 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.24 | 6.6 | -33.64 | 2 | 2 | 1 | 16 | 231.363 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
