| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2008 | 16 | No |
Popular Name: 4H-Imidazol-4-one, 2-amino-5-[(3,4-dihydroxyphenyl)methylene]-1,5-dihydro-, (5Z)- (9CI) 4H-Imidazol-4-one, 2-amino-5-[(3…
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CAS Number: 444106-75-6
| 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) | -0.07 | -1.13 | -17.95 | 5 | 6 | 0 | 112 | 219.2 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P96878-1-B | PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial | Bacteria | 920 | 0.53 | Binding ≤ 10μM |
| Y1284-1-B | Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial | Bacteria | 910 | 0.53 | Binding ≤ 10μM |
| Q3I4V7-1-F | Carbonic Anhydrase 2 (cluster #1 Of 4), Fungal | Fungi | 950 | 0.53 | Binding ≤ 10μM |
| Q5AJ71-1-F | Carbonic Anhydrase (cluster #1 Of 4), Fungal | Fungi | 900 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q5AJ71_CANAL | Q5AJ71 | Carbonic Anhydrase, Canal | 900 | 0.53 | Binding ≤ 1μM |
| Q3I4V7_CRYNV | Q3I4V7 | Carbonic Anhydrase 2, Crynv | 950 | 0.53 | Binding ≤ 1μM |
| P96878_MYCTU | P96878 | PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), Myctu | 920 | 0.53 | Binding ≤ 1μM |
| Y1284_MYCTU | P64797 | Uncharacterized Protein Rv1284/MT1322, Myctu | 910 | 0.53 | Binding ≤ 1μM |
| Q5AJ71_CANAL | Q5AJ71 | Carbonic Anhydrase, Canal | 900 | 0.53 | Binding ≤ 10μM |
| Q3I4V7_CRYNV | Q3I4V7 | Carbonic Anhydrase 2, Crynv | 950 | 0.53 | Binding ≤ 10μM |
| P96878_MYCTU | P96878 | PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), Myctu | 920 | 0.53 | Binding ≤ 10μM |
| Y1284_MYCTU | P64797 | Uncharacterized Protein Rv1284/MT1322, Myctu | 910 | 0.53 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.