| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 13 | No |
Popular Name: Diethyl (2S,3S)-(+)-2,3-epoxysuccinate Diethyl (2S,3S)-(+)-2,3-epoxysuc…
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CAS Numbers: 73890-18-3 , 74243-85-9 , [73890-18-3]
(2R,3R)-Diethyl2,3-epoxysuccinate
(2S,3S)-Diethyl oxirane-2,3-dicarboxylate
| 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) | 0.61 | 3.5 | -9.46 | 0 | 5 | 0 | 65 | 188.179 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAPA1-2-E | Papain (cluster #2 Of 2), Eukaryotic | Eukaryotes | 207 | 0.72 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAPA1_CARPA | P00784 | Papain, Carpa | 207 | 0.72 | Binding ≤ 1μM |
| PAPA1_CARPA | P00784 | Papain, Carpa | 207 | 0.72 | Binding ≤ 10μM |
