| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2009 | 8 | Yes |
Popular Name: 5-Methyl-[1,4]diazepane 5-Methyl-[1,4]diazepane
Find On: PubMed — Wikipedia — Google
CAS Numbers: 22777-05-5 , 673-66-5 , [22777-05-5]
| 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) | -0.01 | 0.24 | -37.1 | 3 | 2 | 1 | 29 | 115.2 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -0.01 | 1.55 | -107.9 | 4 | 2 | 2 | 33 | 116.208 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -0.01 | 0.15 | -37.13 | 3 | 2 | 1 | 29 | 115.2 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.