| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 17 | No |
Popular Name: (5Z)-1-ethyl-5-[[(2R)-2H-pyrrol-2-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-1-ethyl-5-[[(2R)-2H-pyrrol-…
| 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) | 0.18 | 0.98 | -40.97 | 0 | 5 | -1 | 70 | 248.287 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.18 | 1.96 | -52.93 | 1 | 5 | 0 | 72 | 249.295 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.28 | 3.87 | -43.23 | 2 | 5 | 1 | 69 | 250.303 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.28 | 2.88 | -8.01 | 1 | 5 | 0 | 67 | 249.295 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
