| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2015 | 25 | Yes |
Popular Name: 4-Nitrobenzyl 6-(1-hydroxyethyl)-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-Nitrobenzyl 6-(1-hydroxyethyl)…
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CAS Number: 77449-43-5
| 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) | 0.32 | 3.66 | -19.64 | 1 | 9 | 0 | 130 | 348.311 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 3.73 | -47.02 | 1 | 9 | -1 | 136 | 347.303 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.