In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 20 | No |
Popular Name: (5E)-5-[(2-diethylaminoethylamino)methylene]-1-ethyl-2-thioxo-hexahydropyrimidine-4,6-dione (5E)-5-[(2-diethylaminoethylamin…
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) | 0.04 | 6.14 | -50.01 | 3 | 6 | 1 | 71 | 299.42 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.04 | 4.01 | -8.55 | 2 | 6 | 0 | 70 | 298.412 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.04 | 4.01 | -8.6 | 2 | 6 | 0 | 70 | 298.412 | 7 | ↓ |