| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2009 | 32 | Yes |
Popular Name: 2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide 2-[4-(4-methoxyphenyl)sulfonyl-1…
| 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) | 3.33 | 4.04 | -11.41 | 1 | 7 | 0 | 82 | 471.501 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 4.71 | -41.08 | 0 | 7 | -1 | 85 | 470.493 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | 5.82 | -16.74 | 1 | 7 | 0 | 79 | 471.501 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 5.97 | -50.97 | 2 | 7 | 1 | 84 | 472.509 | 7 | ↓ |
