| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2008 | 27 | No |
Popular Name: 3-[2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethylsulfonyl]propanamide 3-[2-[4-(p-tolylsulfonyl)-1,4-di…
| 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) | 0.26 | 0.01 | -20.85 | 2 | 8 | 0 | 118 | 417.553 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.58 | -0.11 | -60.83 | 3 | 8 | 1 | 120 | 418.561 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.26 | 1.85 | -62.42 | 3 | 8 | 1 | 119 | 418.561 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
