| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 21 | Yes |
Popular Name: 1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepan-1-ium 1-methyl-4-(2,3,5,6-tetramethylp…
| 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) | 2.99 | 7.36 | -42.61 | 1 | 4 | 1 | 42 | 311.471 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 5.29 | -7.72 | 0 | 4 | 0 | 41 | 310.463 | 2 | ↓ |
