In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 3rd, 2006 | 18 | Yes |
Popular Name: (8-phenyl-7,9-dioxa-2-azabicyclo[4.4.0]deca-1,3,5-trien-3-yl)methanol (8-phenyl-7,9-dioxa-2-azabicyclo…
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) | 1.96 | 3.22 | -7.32 | 1 | 4 | 0 | 52 | 243.262 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.96 | 3.45 | -32.66 | 2 | 4 | 1 | 53 | 244.27 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.