| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 24 | No |
Popular Name: 1-(5-butyl-4-hydroxy-6-methyl-pyrimidin-2-yl)-3-(2-thienylsulfonyl)urea 1-(5-butyl-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) | 2.42 | 3.67 | -42.75 | 2 | 8 | -1 | 127 | 369.448 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.88 | 3.53 | -117.86 | 1 | 8 | -2 | 130 | 368.44 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.42 | 2.66 | -15.4 | 3 | 8 | 0 | 125 | 370.456 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 200 - 201 | MolMall (formerly Molecular Diversity Preservation International) |
No pre-computed analogs available. Try a structural similarity search.
