In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 13th, 2009 | 25 | No |
Popular Name: (5Z)-5-[(3-bromo-4-hydroxy-phenyl)methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[(3-bromo-4-hydroxy-pheny…
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) | 3.22 | 3.27 | -46.57 | 1 | 6 | -1 | 95 | 400.208 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.22 | 4.04 | -95.24 | 0 | 6 | -2 | 98 | 399.2 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.77 | 5.92 | -10.79 | 2 | 6 | 0 | 92 | 401.216 | 2 | ↓ |