In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2009 | 16 | Yes |
Popular Name: (4aR,7aR)-6-benzyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine (4aR,7aR)-6-benzyl-3,4,4a,5,7,7a…
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) | 1.21 | 3.72 | -35.81 | 2 | 3 | 1 | 26 | 219.308 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 1.32 | -3.9 | 1 | 3 | 0 | 24 | 218.3 | 2 | ↓ |