|
Analogs
-
4217364
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 38 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-1-A |
Carbonic Anhydrase (cluster #1 Of 2), Archaea |
Archaea |
60 |
0.78 |
Binding ≤ 10μM
|
CYNT-2-B |
Carbonic Anhydrase (cluster #2 Of 3), Bacterial |
Bacteria |
9 |
0.87 |
Binding ≤ 10μM
|
P96878-1-B |
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial |
Bacteria |
12 |
0.85 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
481 |
0.68 |
Binding ≤ 10μM
|
B5SU02-5-E |
Alpha Carbonic Anhydrase (cluster #5 Of 6), Eukaryotic |
Eukaryotes |
16 |
0.84 |
Binding ≤ 10μM
|
C0IX24-4-E |
Carbonic Anhydrase (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
74 |
0.77 |
Binding ≤ 10μM
|
CAH1-10-E |
Carbonic Anhydrase I (cluster #10 Of 12), Eukaryotic |
Eukaryotes |
900 |
0.65 |
Binding ≤ 10μM
|
CAH10-2-E |
Carbonic Anhydrase-related Protein 10 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
440 |
0.68 |
Binding ≤ 10μM
|
CAH11-2-E |
Carbonic Anhydrase-related Protein 2 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
440 |
0.68 |
Binding ≤ 10μM
|
CAH12-8-E |
Carbonic Anhydrase XII (cluster #8 Of 9), Eukaryotic |
Eukaryotes |
6 |
0.89 |
Binding ≤ 10μM |
CAH13-2-E |
Carbonic Anhydrase XIII (cluster #2 Of 7), Eukaryotic |
Eukaryotes |
490 |
0.68 |
Binding ≤ 10μM
|
CAH14-7-E |
Carbonic Anhydrase XIV (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
440 |
0.68 |
Binding ≤ 10μM
|
CAH15-6-E |
Carbonic Anhydrase 15 (cluster #6 Of 6), Eukaryotic |
Eukaryotes |
72 |
0.77 |
Binding ≤ 10μM
|
CAH2-11-E |
Carbonic Anhydrase II (cluster #11 Of 15), Eukaryotic |
Eukaryotes |
7 |
0.88 |
Binding ≤ 10μM
|
CAH3-5-E |
Carbonic Anhydrase III (cluster #5 Of 6), Eukaryotic |
Eukaryotes |
7 |
0.88 |
Binding ≤ 10μM
|
CAH4-12-E |
Carbonic Anhydrase IV (cluster #12 Of 16), Eukaryotic |
Eukaryotes |
72 |
0.77 |
Binding ≤ 10μM
|
CAH5A-2-E |
Carbonic Anhydrase VA (cluster #2 Of 10), Eukaryotic |
Eukaryotes |
7 |
0.88 |
Binding ≤ 10μM
|
CAH5B-2-E |
Carbonic Anhydrase VB (cluster #2 Of 9), Eukaryotic |
Eukaryotes |
54 |
0.78 |
Binding ≤ 10μM |
CAH6-1-E |
Carbonic Anhydrase VI (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
7 |
0.88 |
Binding ≤ 10μM
|
CAH7-7-E |
Carbonic Anhydrase VII (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
16 |
0.84 |
Binding ≤ 10μM
|
CAH8-2-E |
Carbonic Anhydrase-related Protein 8 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
440 |
0.68 |
Binding ≤ 10μM
|
CAH9-10-E |
Carbonic Anhydrase IX (cluster #10 Of 11), Eukaryotic |
Eukaryotes |
1000 |
0.65 |
Binding ≤ 10μM
|
Q2PCB5-1-E |
Carbonic Anhydrase (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
5720 |
0.56 |
Binding ≤ 10μM |
CAH1-3-E |
Carbonic Anhydrase I (cluster #3 Of 3), Eukaryotic |
Eukaryotes |
250 |
0.71 |
Functional ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
3 |
0.92 |
Functional ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
70 |
0.77 |
Functional ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
25 |
0.82 |
Functional ≤ 10μM
|
CAN-3-F |
Carbonic Anhydrase (cluster #3 Of 3), Fungal |
Fungi |
83 |
0.76 |
Binding ≤ 10μM
|
Q3I4V7-2-F |
Carbonic Anhydrase 2 (cluster #2 Of 4), Fungal |
Fungi |
10 |
0.86 |
Binding ≤ 10μM
|
Q5AJ71-3-F |
Carbonic Anhydrase (cluster #3 Of 4), Fungal |
Fungi |
40 |
0.80 |
Binding ≤ 10μM
|
Q6FTL6-1-F |
Carbonic Anhydrase (cluster #1 Of 1), Fungal |
Fungi |
11 |
0.86 |
Binding ≤ 10μM
|
Physical Representations
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)
|
-1.15 |
-4.36 |
-19.16 |
3 |
7 |
0 |
115 |
222.251 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-1.15 |
-3.88 |
-51.46 |
2 |
7 |
-1 |
113 |
221.243 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 35 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH10-1-E |
Carbonic Anhydrase-related Protein 10 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH11-1-E |
Carbonic Anhydrase-related Protein 2 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
400 |
0.69 |
Binding ≤ 10μM
|
CAH3-2-E |
Carbonic Anhydrase III (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
4200 |
0.58 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH8-1-E |
Carbonic Anhydrase-related Protein 8 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
Physical Representations
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)
|
0.59 |
0.17 |
-11.69 |
2 |
6 |
0 |
106 |
202.191 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 17 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
146 |
0.68 |
Binding ≤ 10μM
|
CAH10-1-E |
Carbonic Anhydrase-related Protein 10 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
146 |
0.68 |
Binding ≤ 10μM
|
CAH11-1-E |
Carbonic Anhydrase-related Protein 2 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
146 |
0.68 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
146 |
0.68 |
Binding ≤ 10μM
|
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
146 |
0.68 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
146 |
0.68 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
146 |
0.68 |
Binding ≤ 10μM
|
CAH3-2-E |
Carbonic Anhydrase III (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
146 |
0.68 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
146 |
0.68 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
146 |
0.68 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
146 |
0.68 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
146 |
0.68 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
146 |
0.68 |
Binding ≤ 10μM
|
CAH8-1-E |
Carbonic Anhydrase-related Protein 8 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
146 |
0.68 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
146 |
0.68 |
Binding ≤ 10μM
|
Physical Representations
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)
|
0.96 |
1.38 |
-10.64 |
1 |
6 |
0 |
92 |
216.218 |
3 |
↓
|
|
|
Analogs
-
39332864
-
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH1-10-E |
Carbonic Anhydrase I (cluster #10 Of 12), Eukaryotic |
Eukaryotes |
258 |
0.66 |
Binding ≤ 10μM
|
CAH10-2-E |
Carbonic Anhydrase-related Protein 10 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
258 |
0.66 |
Binding ≤ 10μM
|
CAH11-2-E |
Carbonic Anhydrase-related Protein 2 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
258 |
0.66 |
Binding ≤ 10μM
|
CAH12-8-E |
Carbonic Anhydrase XII (cluster #8 Of 9), Eukaryotic |
Eukaryotes |
258 |
0.66 |
Binding ≤ 10μM
|
CAH13-2-E |
Carbonic Anhydrase XIII (cluster #2 Of 7), Eukaryotic |
Eukaryotes |
258 |
0.66 |
Binding ≤ 10μM
|
CAH14-7-E |
Carbonic Anhydrase XIV (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
258 |
0.66 |
Binding ≤ 10μM
|
CAH2-11-E |
Carbonic Anhydrase II (cluster #11 Of 15), Eukaryotic |
Eukaryotes |
258 |
0.66 |
Binding ≤ 10μM
|
CAH3-5-E |
Carbonic Anhydrase III (cluster #5 Of 6), Eukaryotic |
Eukaryotes |
258 |
0.66 |
Binding ≤ 10μM
|
CAH4-12-E |
Carbonic Anhydrase IV (cluster #12 Of 16), Eukaryotic |
Eukaryotes |
258 |
0.66 |
Binding ≤ 10μM
|
CAH5A-2-E |
Carbonic Anhydrase VA (cluster #2 Of 10), Eukaryotic |
Eukaryotes |
258 |
0.66 |
Binding ≤ 10μM
|
CAH5B-2-E |
Carbonic Anhydrase VB (cluster #2 Of 9), Eukaryotic |
Eukaryotes |
258 |
0.66 |
Binding ≤ 10μM
|
CAH6-1-E |
Carbonic Anhydrase VI (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
258 |
0.66 |
Binding ≤ 10μM
|
CAH7-7-E |
Carbonic Anhydrase VII (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
258 |
0.66 |
Binding ≤ 10μM
|
CAH8-2-E |
Carbonic Anhydrase-related Protein 8 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
258 |
0.66 |
Binding ≤ 10μM
|
CAH9-10-E |
Carbonic Anhydrase IX (cluster #10 Of 11), Eukaryotic |
Eukaryotes |
258 |
0.66 |
Binding ≤ 10μM
|
Physical Representations
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)
|
-0.77 |
-3.07 |
-18.21 |
2 |
7 |
0 |
101 |
236.278 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
-0.77 |
-3.59 |
-51.44 |
1 |
7 |
-1 |
103 |
235.27 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 16 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
584 |
0.73 |
Binding ≤ 10μM
|
CAH10-1-E |
Carbonic Anhydrase-related Protein 10 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
584 |
0.73 |
Binding ≤ 10μM
|
CAH11-1-E |
Carbonic Anhydrase-related Protein 2 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
584 |
0.73 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
584 |
0.73 |
Binding ≤ 10μM
|
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
584 |
0.73 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
584 |
0.73 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
584 |
0.73 |
Binding ≤ 10μM
|
CAH3-2-E |
Carbonic Anhydrase III (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
584 |
0.73 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
584 |
0.73 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
584 |
0.73 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
584 |
0.73 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
584 |
0.73 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
584 |
0.73 |
Binding ≤ 10μM
|
CAH8-1-E |
Carbonic Anhydrase-related Protein 8 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
584 |
0.73 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
584 |
0.73 |
Binding ≤ 10μM
|
Physical Representations
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)
|
1.68 |
1.19 |
-8.12 |
1 |
3 |
0 |
46 |
205.666 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 43 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH1-5-E |
Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH10-1-E |
Carbonic Anhydrase-related Protein 10 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH11-1-E |
Carbonic Anhydrase-related Protein 2 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH3-2-E |
Carbonic Anhydrase III (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH8-1-E |
Carbonic Anhydrase-related Protein 8 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
Physical Representations
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)
|
1.31 |
-0.03 |
-8.88 |
2 |
3 |
0 |
60 |
191.639 |
1 |
↓
|
|
|
Analogs
-
32150186
-
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH1-10-E |
Carbonic Anhydrase I (cluster #10 Of 12), Eukaryotic |
Eukaryotes |
550 |
0.52 |
Binding ≤ 10μM
|
CAH10-2-E |
Carbonic Anhydrase-related Protein 10 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
550 |
0.52 |
Binding ≤ 10μM
|
CAH11-2-E |
Carbonic Anhydrase-related Protein 2 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
550 |
0.52 |
Binding ≤ 10μM
|
CAH12-8-E |
Carbonic Anhydrase XII (cluster #8 Of 9), Eukaryotic |
Eukaryotes |
550 |
0.52 |
Binding ≤ 10μM
|
CAH13-2-E |
Carbonic Anhydrase XIII (cluster #2 Of 7), Eukaryotic |
Eukaryotes |
550 |
0.52 |
Binding ≤ 10μM
|
CAH14-7-E |
Carbonic Anhydrase XIV (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
550 |
0.52 |
Binding ≤ 10μM
|
CAH2-11-E |
Carbonic Anhydrase II (cluster #11 Of 15), Eukaryotic |
Eukaryotes |
550 |
0.52 |
Binding ≤ 10μM
|
CAH3-5-E |
Carbonic Anhydrase III (cluster #5 Of 6), Eukaryotic |
Eukaryotes |
550 |
0.52 |
Binding ≤ 10μM
|
CAH4-12-E |
Carbonic Anhydrase IV (cluster #12 Of 16), Eukaryotic |
Eukaryotes |
550 |
0.52 |
Binding ≤ 10μM
|
CAH5A-2-E |
Carbonic Anhydrase VA (cluster #2 Of 10), Eukaryotic |
Eukaryotes |
550 |
0.52 |
Binding ≤ 10μM
|
CAH5B-2-E |
Carbonic Anhydrase VB (cluster #2 Of 9), Eukaryotic |
Eukaryotes |
550 |
0.52 |
Binding ≤ 10μM
|
CAH6-1-E |
Carbonic Anhydrase VI (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
550 |
0.52 |
Binding ≤ 10μM
|
CAH7-7-E |
Carbonic Anhydrase VII (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
550 |
0.52 |
Binding ≤ 10μM
|
CAH8-2-E |
Carbonic Anhydrase-related Protein 8 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
550 |
0.52 |
Binding ≤ 10μM
|
CAH9-10-E |
Carbonic Anhydrase IX (cluster #10 Of 11), Eukaryotic |
Eukaryotes |
550 |
0.52 |
Binding ≤ 10μM
|
Physical Representations
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)
|
-1.40 |
-2.86 |
-52.35 |
3 |
9 |
-1 |
155 |
279.279 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
-1.40 |
-2.37 |
-92.86 |
2 |
9 |
-2 |
153 |
278.271 |
5 |
↓
|
|