In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2006 | 21 | No |
Popular Name: 6-[2-(5-chloro-2-hydroxy-phenyl)vinyl]-5-nitro-1H-pyrimidine-2,4-dione 6-[2-(5-chloro-2-hydroxy-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) | 2.70 | 1.21 | -35.89 | 2 | 8 | -1 | 135 | 308.657 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 2.66 | -86.35 | 1 | 8 | -2 | 138 | 307.649 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 1.93 | -84.9 | 1 | 8 | -2 | 138 | 307.649 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.24 | 2.88 | -16.96 | 3 | 8 | 0 | 132 | 309.665 | 3 | ↓ |