| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 20 | Yes |
Popular Name: 1-methyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]pyridin-2-one 1-methyl-4-[(4-methylsulfonyl-1,…
| 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) | -0.38 | 4.57 | -56.32 | 1 | 6 | 1 | 64 | 300.404 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.38 | 2.67 | -21.56 | 0 | 6 | 0 | 63 | 299.396 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
