| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 8 | No |
Popular Name: 3-Mercapto-2-(methylamino)propanoic acid hydroChloride 3-Mercapto-2-(methylamino)propan…
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CAS Numbers: 14344-46-8 , [14344-46-8]
3-MERCAPTO-2- PROPANOICACIDHYDROCHLORIDE
| 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) | -1.80 | -1.41 | -32.63 | 2 | 3 | 0 | 56 | 135.188 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.80 | -2.37 | -53.21 | 2 | 3 | -1 | 56 | 134.18 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CBPA1-1-E | Carboxypeptidase A1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2400 | 0.98 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CBPA1_BOVIN | P00730 | Carboxypeptidase A1, Bovin | 2400 | 0.98 | Binding ≤ 10μM |
