In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 19 | No |
Popular Name: (1S,2R,4S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propyl-cyclohexanecarbonitrile (1S,2R,4S)-2-(1,1-dioxo-1,4-thia…
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) | 2.41 | 3.68 | -15.52 | 0 | 4 | 0 | 61 | 284.425 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.41 | 5.49 | -59.86 | 1 | 4 | 1 | 62 | 285.433 | 3 | ↓ |