| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (2S,3aR,7aS)-2-[(4,4-diethyl-1-piperidyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (2S,3aR,7aS)-2-[(4,4-diethyl-1-p…
| 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) | 5.14 | 10.05 | -119.86 | 3 | 2 | 2 | 21 | 280.5 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.14 | 7.73 | -31.93 | 2 | 2 | 1 | 20 | 279.492 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.14 | 8.83 | -32.16 | 2 | 2 | 1 | 16 | 279.492 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
