In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2009 | 24 | No |
Popular Name: (5Z)-1-(3-bromophenyl)-5-[(2-hydroxyphenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-1-(3-bromophenyl)-5-[(2-hyd…
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) | 3.37 | 5.04 | -45.62 | 1 | 5 | -1 | 78 | 402.249 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.37 | 5.82 | -100.29 | 0 | 5 | -2 | 81 | 401.241 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.91 | 6.99 | -8.89 | 2 | 5 | 0 | 75 | 403.257 | 2 | ↓ |