In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 19th, 2006 | 18 | Yes |
Popular Name: 4-(2,2-dioxo-2$l^{6}-thia-3,5-diazabicyclo[4.4.0]deca-3,7,9,11-tetraen-4-yl)butanamide 4-(2,2-dioxo-2$l^{6}-thia-3,5-di…
None
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) | 0.59 | 0.18 | -33.39 | 3 | 6 | 0 | 102 | 267.31 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.59 | -0.23 | -50.15 | 2 | 6 | -1 | 104 | 266.302 | 4 | ↓ |