In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2011 | 19 | Yes |
Popular Name: (4aS,8aS)-4-[(4-ethyl-4-piperidyl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-[(4-ethyl-4-piperidy…
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) | 2.36 | 4.92 | -42.25 | 2 | 3 | 1 | 29 | 267.437 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.36 | 6.73 | -102.87 | 3 | 3 | 2 | 30 | 268.445 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.