| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2010 | 26 | Yes |
Popular Name: [4-(benzenesulfonyl)-1,4-diazepan-1-yl]-(5-chloro-2-hydroxy-phenyl)methanone [4-(benzenesulfonyl)-1,4-diazepa…
| 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) | 3.12 | 4.83 | -17.75 | 1 | 6 | 0 | 78 | 394.88 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 5.6 | -60.51 | 0 | 6 | -1 | 81 | 393.872 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
