In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2008 | 23 | No |
Popular Name: (3S,3aR,6aR)-2-phenyl-3-(p-tolyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione (3S,3aR,6aR)-2-phenyl-3-(p-tolyl…
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) | 2.72 | 3.86 | -41.42 | 0 | 5 | -1 | 65 | 307.329 | 2 | ↓ |
Ref Reference (pH 7) | 2.72 | 4.05 | -45.44 | 0 | 5 | -1 | 65 | 307.329 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.54 | 6.39 | -7.83 | 1 | 5 | 0 | 59 | 308.337 | 2 | ↓ |