| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 21 | No |
Popular Name: (5E)-1-cyclohexyl-5-[[(2R)-2H-pyrrol-2-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5E)-1-cyclohexyl-5-[[(2R)-2H-py…
| 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) | 1.71 | 3.52 | -40.39 | 0 | 5 | -1 | 70 | 302.379 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 4.51 | -49.5 | 1 | 5 | 0 | 72 | 303.387 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 6.23 | -41.94 | 2 | 5 | 1 | 69 | 304.395 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 5.24 | -8.02 | 1 | 5 | 0 | 67 | 303.387 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
