| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 6th, 2011 | 22 | No |
Popular Name: (5Z)-5-[[4-(diethylamino)phenyl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-5-[[4-(diethylamino)phenyl]…
| 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) | 2.02 | 6.05 | -43.19 | 0 | 5 | -1 | 61 | 316.406 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 8.04 | -8.01 | 1 | 5 | 0 | 58 | 317.414 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 6.18 | -59.52 | 1 | 5 | 0 | 62 | 317.414 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | 8.11 | -42.84 | 2 | 5 | 0 | 59 | 318.422 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
