In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2007 | 20 | No |
Popular Name: 3-allyl-6-hydroxy-5-[(4-hydroxyphenyl)methylene]pyrimidine-2,4-dione 3-allyl-6-hydroxy-5-[(4-hydroxyp…
None
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) | 0.98 | 0.57 | -43.79 | 1 | 6 | -1 | 95 | 271.252 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 0.6 | -98.21 | 0 | 6 | -2 | 98 | 270.244 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 0.7 | -100.56 | 0 | 6 | -2 | 98 | 270.244 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.53 | 2.34 | -11.06 | 2 | 6 | 0 | 92 | 272.26 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.98 | -0.19 | -44.21 | 1 | 6 | -1 | 95 | 271.252 | 3 | ↓ |