In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 20 | Yes |
Popular Name: (1S,3R)-3-[[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]amino]cyclohexanol (1S,3R)-3-[[(4R)-1,1-dioxo-3,4-d…
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) | 0.69 | 2 | -60.33 | 3 | 4 | 1 | 71 | 296.412 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.69 | 1.34 | -13.61 | 2 | 4 | 0 | 66 | 295.404 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.