| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2014 | 17 | Yes |
Popular Name: (3aS,7aS)-6-Phenethyloctahydro-1H-pyrrolo[2,3-c]pyridine (3aS,7aS)-6-Phenethyloctahydro-1…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 867324-10-5 , 912338-15-9 , [867324-10-5]
| 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) | 2.55 | 6.9 | -37.61 | 2 | 2 | 1 | 16 | 231.363 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 8.29 | -109.28 | 3 | 2 | 2 | 21 | 232.371 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.