| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 18 | Yes |
Popular Name: 1-[(5-bromo-2-thienyl)methyl]-4-methylsulfonyl-1,4-diazepane 1-[(5-bromo-2-thienyl)methyl]-4-…
| 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) | 2.11 | 3.23 | -10.94 | 0 | 4 | 0 | 41 | 353.307 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 5.23 | -48.23 | 1 | 4 | 1 | 42 | 354.315 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
