| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 28 | No |
Popular Name: N-tert-butyl-2-[4-(4-methyl-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]acetamide N-tert-butyl-2-[4-(4-methyl-3-ni…
| 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) | 2.54 | 6.71 | -53.48 | 2 | 9 | 1 | 117 | 413.52 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 4.37 | -16.37 | 1 | 9 | 0 | 116 | 412.512 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
