In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 8th, 2010 | 20 | No |
Popular Name: 5-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)pentanoic 5-(5-butyl-2,4,6-trioxo-hexahydr…
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) | 1.72 | 3.15 | -46.78 | 2 | 7 | -1 | 115 | 283.304 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 0.59 | -92.57 | 1 | 7 | -2 | 122 | 282.296 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.02 | 0.65 | -92.22 | 1 | 7 | -2 | 122 | 282.296 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.72 | 1.17 | -9.8 | 3 | 7 | 0 | 113 | 284.312 | 8 | ↓ |