| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 20 | Yes |
Popular Name: 1-BOC-7-PHENYL-1,4-DIAZEPANE 1-BOC-7-PHENYL-1,4-DIAZEPANE
Find On: PubMed — Wikipedia — Google
CAS Number: 220898-23-7
| 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) | 2.53 | 7.59 | -46.53 | 2 | 4 | 1 | 46 | 277.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 6.15 | -4.76 | 1 | 4 | 0 | 42 | 276.38 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0899264A1; US6040303 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
