In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 22 | No |
Popular Name: 1-(5-ethyl-4-hydroxy-6-methyl-pyrimidin-2-yl)-3-(2-thienylsulfonyl)urea 1-(5-ethyl-4-hydroxy-6-methyl-py…
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) | 1.48 | 2.12 | -42.61 | 2 | 8 | -1 | 127 | 341.394 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.93 | 1.98 | -116.56 | 1 | 8 | -2 | 130 | 340.386 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.48 | 1.11 | -15.45 | 3 | 8 | 0 | 125 | 342.402 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
mp | 179 - 180 | MolMall (formerly Molecular Diversity Preservation International) |