| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 10 | No |
Popular Name: D-Cysteine, N-(1-methylethyl)- (9CI) D-Cysteine, N-(1-methylethyl)- (…
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CAS Number: 403804-43-3
| 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) | -1.13 | 2.59 | -29.3 | 2 | 3 | 0 | 57 | 163.242 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.13 | 3.13 | -51.04 | 2 | 3 | -1 | 57 | 162.234 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CBPA1-1-E | Carboxypeptidase A1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 560 | 0.88 | Binding ≤ 10μM |
| CBPA1-1-E | Carboxypeptidase A1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1100 | 0.83 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CBPA1_BOVIN | P00730 | Carboxypeptidase A1, Bovin | 560 | 0.88 | Binding ≤ 1μM |
| CBPA1_BOVIN | P00730 | Carboxypeptidase A1, Bovin | 560 | 0.88 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.