| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2010 | 20 | Yes |
Popular Name: [(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-(4-propyl-1-piperidyl)methanone [(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-…
| 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) | 4.63 | 8.03 | -36.48 | 2 | 3 | 1 | 37 | 279.448 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.63 | 6.92 | -8.83 | 1 | 3 | 0 | 32 | 278.44 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
