| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 24 | No |
Popular Name: 3-(azepan-1-ylsulfonyl)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-methyl-urea 3-(azepan-1-ylsulfonyl)-1-(4-met…
| 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) | 1.20 | 3.71 | -48.81 | 0 | 10 | -1 | 124 | 357.416 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 2.75 | -35.3 | 1 | 10 | 0 | 125 | 358.424 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 4.12 | -19.28 | 1 | 10 | 0 | 118 | 358.424 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
