In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2009 | 24 | No |
Popular Name: (4aS,7aS)-1-cyclohexyl-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one (4aS,7aS)-1-cyclohexyl-6,6-dioxo…
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) | 2.39 | 6.25 | -59.1 | 1 | 5 | 1 | 59 | 349.476 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 4.11 | -14.56 | 0 | 5 | 0 | 58 | 348.468 | 2 | ↓ |