| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 27 | No |
Popular Name: 1-(5-benzyl-4-hydroxy-6-methyl-pyrimidin-2-yl)-3-(2-thienylsulfonyl)urea 1-(5-benzyl-4-hydroxy-6-methyl-p…
| 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) | 2.73 | 2.41 | -42.09 | 2 | 8 | -1 | 131 | 403.465 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.98 | 4.78 | -119.38 | 1 | 8 | -2 | 130 | 402.457 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 4.46 | -52.99 | 2 | 8 | -1 | 127 | 403.465 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 4.13 | -81.31 | 2 | 8 | -1 | 127 | 403.465 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.52 | 3.96 | -16.58 | 3 | 8 | 0 | 125 | 404.473 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
