In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 20 | No |
Popular Name: 3-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dimethyl-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(3S)-1,1-dioxothiolan-3-yl]-5…
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) | 0.92 | 4.37 | -16.7 | 1 | 5 | 0 | 72 | 330.456 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.37 | 3.37 | -40.16 | 0 | 5 | -1 | 75 | 329.448 | 1 | ↓ |