| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 23 | Yes |
Popular Name: 3-[[4-(3-methoxypropyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile 3-[[4-(3-methoxypropyl)-1,4-diaz…
| 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) | 1.40 | 5.92 | -50.93 | 1 | 6 | 1 | 75 | 338.453 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 3.94 | -11.57 | 0 | 6 | 0 | 74 | 337.445 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
