| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2008 | 11 | No |
Popular Name: (2S,3S)-3-(Ethoxycarbonyl)-oxirane-2-carboxylic acid (2S,3S)-3-(Ethoxycarbonyl)-oxira…
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CAS Numbers: 89886-73-7 , [89886-73-7]
(2S,3S)-3-(Ethoxycarbonyl)-oxirane-2-carboxylicacid
2,3-Oxiranedicarboxylic acid, monoethyl ester, (2S,3S)- (9CI)
| 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) | -0.38 | 1.59 | -42.69 | 0 | 5 | -1 | 79 | 159.117 | 4 | ↓ |
| 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 | 11 | 1.01 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAPA1_CARPA | P00784 | Papain, Carpa | 10.5 | 1.02 | Binding ≤ 1μM |
| PAPA1_CARPA | P00784 | Papain, Carpa | 10.5 | 1.02 | Binding ≤ 10μM |
