| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 14 | Yes |
Popular Name: (2S)-2-(2-aminoethylamino)-3-(1H-imidazol-4-yl)propanoic (2S)-2-(2-aminoethylamino)-3-(1H…
None
| 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) | -3.29 | 1.01 | -89.75 | 6 | 6 | 1 | 110 | 199.234 | 6 | ↓ |
| Hi High (pH 8-9.5) | -3.29 | 1.09 | -33.99 | 5 | 6 | 0 | 111 | 198.226 | 6 | ↓ |
| Mid Mid (pH 6-8) | -3.29 | 1.47 | -84.53 | 6 | 6 | 1 | 113 | 199.234 | 6 | ↓ |
| Mid Mid (pH 6-8) | -3.29 | 0.45 | -64.52 | 5 | 6 | 0 | 108 | 198.226 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -3.29 | 1.97 | -147.48 | 7 | 6 | 2 | 114 | 200.242 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4743614 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CBPB2-1-E | Carboxypeptidase B2 Isoform A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 344 | 0.65 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CBPB2_HUMAN | Q96IY4 | Carboxypeptidase B2 Isoform A, Human | 344 | 0.65 | Binding ≤ 1μM |
| CBPB2_HUMAN | Q96IY4 | Carboxypeptidase B2 Isoform A, Human | 344 | 0.65 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
