|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 58 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Q3I4V7-1-F |
Carbonic Anhydrase 2 (cluster #1 Of 4), Fungal |
Fungi |
900 |
0.77 |
Binding ≤ 10μM
|
Q5AJ71-2-F |
Carbonic Anhydrase (cluster #2 Of 4), Fungal |
Fungi |
1020 |
0.76 |
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)
|
0.88 |
2.07 |
-47.22 |
1 |
3 |
-1 |
60 |
151.141 |
2 |
↓
|
|
|
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 61 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 |
3930 |
0.69 |
Binding ≤ 10μM
|
CYNT-1-B |
Carbonic Anhydrase (cluster #1 Of 3), Bacterial |
Bacteria |
454 |
0.81 |
Binding ≤ 10μM
|
P96878-1-B |
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial |
Bacteria |
7110 |
0.66 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
9840 |
0.64 |
Binding ≤ 10μM
|
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
364 |
0.82 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
300 |
0.83 |
Binding ≤ 10μM
|
CAH12-1-E |
Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
37 |
0.95 |
Binding ≤ 10μM |
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
32 |
0.95 |
Binding ≤ 10μM
|
CAH14-1-E |
Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
5400 |
0.67 |
Binding ≤ 10μM
|
CAH15-2-E |
Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
9610 |
0.64 |
Binding ≤ 10μM
|
CAH2-6-E |
Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic |
Eukaryotes |
300 |
0.83 |
Binding ≤ 10μM
|
CAH3-2-E |
Carbonic Anhydrase III (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
988 |
0.76 |
Binding ≤ 10μM
|
CAH4-1-E |
Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic |
Eukaryotes |
3000 |
0.70 |
Binding ≤ 10μM
|
CAH5A-1-E |
Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic |
Eukaryotes |
1360 |
0.75 |
Binding ≤ 10μM
|
CAH5B-1-E |
Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic |
Eukaryotes |
3650 |
0.69 |
Binding ≤ 10μM
|
CAH6-7-E |
Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic |
Eukaryotes |
941 |
0.77 |
Binding ≤ 10μM
|
CAH7-1-E |
Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
70 |
0.91 |
Binding ≤ 10μM
|
CAH9-1-E |
Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic |
Eukaryotes |
294 |
0.83 |
Binding ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
300 |
0.83 |
Functional ≤ 10μM
|
CAH9-2-E |
Carbonic Anhydrase IX (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
294 |
0.83 |
Functional ≤ 10μM
|
Q3I4V7-3-F |
Carbonic Anhydrase 2 (cluster #3 Of 4), Fungal |
Fungi |
770 |
0.78 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
7630 |
0.65 |
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)
|
-0.29 |
-2.67 |
-10.63 |
4 |
4 |
0 |
86 |
172.209 |
1 |
↓
|
|
|
Analogs
-
21984495
-
-
22061272
-
-
22061274
-
-
23586802
-
-
23586806
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 19 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH-2-A |
Carbonic Anhydrase (cluster #2 Of 2), Archaea |
Archaea |
8900 |
0.32 |
Binding ≤ 10μM
|
CYNT-3-B |
Carbonic Anhydrase (cluster #3 Of 3), Bacterial |
Bacteria |
474 |
0.40 |
Binding ≤ 10μM
|
P96878-2-B |
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #2 Of 2), Bacterial |
Bacteria |
3020 |
0.35 |
Binding ≤ 10μM
|
Y1284-2-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #2 Of 2), Bacterial |
Bacteria |
612 |
0.40 |
Binding ≤ 10μM
|
B5SU02-4-E |
Alpha Carbonic Anhydrase (cluster #4 Of 6), Eukaryotic |
Eukaryotes |
29 |
0.48 |
Binding ≤ 10μM
|
C0IX24-3-E |
Carbonic Anhydrase (cluster #3 Of 5), Eukaryotic |
Eukaryotes |
367 |
0.41 |
Binding ≤ 10μM
|
CAH1-8-E |
Carbonic Anhydrase I (cluster #8 Of 12), Eukaryotic |
Eukaryotes |
8900 |
0.32 |
Binding ≤ 10μM
|
CAH12-6-E |
Carbonic Anhydrase XII (cluster #6 Of 9), Eukaryotic |
Eukaryotes |
3800 |
0.34 |
Binding ≤ 10μM
|
CAH13-3-E |
Carbonic Anhydrase XIII (cluster #3 Of 7), Eukaryotic |
Eukaryotes |
47 |
0.47 |
Binding ≤ 10μM
|
CAH14-5-E |
Carbonic Anhydrase XIV (cluster #5 Of 8), Eukaryotic |
Eukaryotes |
1460 |
0.37 |
Binding ≤ 10μM
|
CAH15-5-E |
Carbonic Anhydrase 15 (cluster #5 Of 6), Eukaryotic |
Eukaryotes |
78 |
0.45 |
Binding ≤ 10μM
|
CAH2-10-E |
Carbonic Anhydrase II (cluster #10 Of 15), Eukaryotic |
Eukaryotes |
8900 |
0.32 |
Binding ≤ 10μM
|
CAH3-4-E |
Carbonic Anhydrase III (cluster #4 Of 6), Eukaryotic |
Eukaryotes |
8890 |
0.32 |
Binding ≤ 10μM
|
CAH4-7-E |
Carbonic Anhydrase IV (cluster #7 Of 16), Eukaryotic |
Eukaryotes |
54 |
0.46 |
Binding ≤ 10μM
|
CAH5A-3-E |
Carbonic Anhydrase VA (cluster #3 Of 10), Eukaryotic |
Eukaryotes |
8890 |
0.32 |
Binding ≤ 10μM
|
CAH5B-3-E |
Carbonic Anhydrase VB (cluster #3 Of 9), Eukaryotic |
Eukaryotes |
30 |
0.48 |
Binding ≤ 10μM
|
CAH6-2-E |
Carbonic Anhydrase VI (cluster #2 Of 8), Eukaryotic |
Eukaryotes |
8890 |
0.32 |
Binding ≤ 10μM
|
CAH7-5-E |
Carbonic Anhydrase VII (cluster #5 Of 8), Eukaryotic |
Eukaryotes |
1 |
0.57 |
Binding ≤ 10μM
|
CAH9-7-E |
Carbonic Anhydrase IX (cluster #7 Of 11), Eukaryotic |
Eukaryotes |
58 |
0.46 |
Binding ≤ 10μM
|
CAH1-1-E |
Carbonic Anhydrase I (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
250 |
0.42 |
Functional ≤ 10μM
|
CAH2-2-E |
Carbonic Anhydrase II (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
5 |
0.53 |
Functional ≤ 10μM
|
CAH4-2-E |
Carbonic Anhydrase IV (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
54 |
0.46 |
Functional ≤ 10μM
|
CAN-2-F |
Carbonic Anhydrase (cluster #2 Of 3), Fungal |
Fungi |
110 |
0.44 |
Binding ≤ 10μM
|
Q3I4V7-4-F |
Carbonic Anhydrase 2 (cluster #4 Of 4), Fungal |
Fungi |
370 |
0.41 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
1110 |
0.38 |
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)
|
0.16 |
-1.52 |
-44.79 |
1 |
9 |
-1 |
113 |
338.358 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.16 |
-2 |
-12.26 |
2 |
9 |
0 |
116 |
339.366 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 43 More
Clustered Target Annotations
Code |
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 |
9120 |
0.64 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
850 |
0.77 |
Binding ≤ 10μM
|
Q3I4V7-1-F |
Carbonic Anhydrase 2 (cluster #1 Of 4), Fungal |
Fungi |
840 |
0.77 |
Binding ≤ 10μM
|
Q5AJ71-2-F |
Carbonic Anhydrase (cluster #2 Of 4), Fungal |
Fungi |
910 |
0.77 |
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)
|
0.37 |
-0.89 |
-11.39 |
3 |
3 |
0 |
63 |
151.165 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 15), Eukaryotic |
Eukaryotes |
8300 |
0.32 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
840 |
0.39 |
Binding ≤ 10μM
|
Q3I4V7-1-F |
Carbonic Anhydrase 2 (cluster #1 Of 4), Fungal |
Fungi |
1150 |
0.38 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
1030 |
0.38 |
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)
|
-0.23 |
3.59 |
-51.37 |
2 |
7 |
-1 |
116 |
326.712 |
7 |
↓
|
|
|
Analogs
-
34596490
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 51 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH2-5-E |
Carbonic Anhydrase II (cluster #5 Of 15), Eukaryotic |
Eukaryotes |
8700 |
0.71 |
Binding ≤ 10μM
|
Y1284-1-B |
Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial |
Bacteria |
850 |
0.85 |
Binding ≤ 10μM
|
Q3I4V7-1-F |
Carbonic Anhydrase 2 (cluster #1 Of 4), Fungal |
Fungi |
1080 |
0.84 |
Binding ≤ 10μM
|
Q5AJ71-2-F |
Carbonic Anhydrase (cluster #2 Of 4), Fungal |
Fungi |
1100 |
0.83 |
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)
|
1.00 |
-0.27 |
-4.99 |
2 |
2 |
0 |
40 |
138.166 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
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
|
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)
|
-0.07 |
-1.13 |
-17.95 |
5 |
6 |
0 |
112 |
219.2 |
1 |
↓
|
|
|
Analogs
-
2584602
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 21 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH2-13-E |
Carbonic Anhydrase II (cluster #13 Of 15), Eukaryotic |
Eukaryotes |
8600 |
0.59 |
Binding ≤ 10μM
|
Q3I4V7-1-F |
Carbonic Anhydrase 2 (cluster #1 Of 4), Fungal |
Fungi |
1120 |
0.69 |
Binding ≤ 10μM
|
Q5AJ71-2-F |
Carbonic Anhydrase (cluster #2 Of 4), Fungal |
Fungi |
1080 |
0.70 |
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)
|
1.75 |
2.62 |
-44.68 |
1 |
3 |
-1 |
60 |
185.586 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 38 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CYNT-2-B |
Carbonic Anhydrase (cluster #2 Of 3), Bacterial |
Bacteria |
876 |
0.61 |
Binding ≤ 10μM
|
P96878-1-B |
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial |
Bacteria |
210 |
0.67 |
Binding ≤ 10μM
|
AOFB-4-E |
Monoamine Oxidase B (cluster #4 Of 8), Eukaryotic |
Eukaryotes |
3100 |
0.55 |
Binding ≤ 10μM |
B5SU02-2-E |
Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
259 |
0.66 |
Binding ≤ 10μM
|
C0IX24-1-E |
Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
645 |
0.62 |
Binding ≤ 10μM
|
CAH1-12-E |
Carbonic Anhydrase I (cluster #12 Of 12), Eukaryotic |
Eukaryotes |
56 |
0.73 |
Binding ≤ 10μM
|
CAH13-1-E |
Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
430 |
0.64 |
Binding ≤ 10μM
|
CAH14-4-E |
Carbonic Anhydrase XIV (cluster #4 Of 8), Eukaryotic |
Eukaryotes |
5250 |
0.53 |
Binding ≤ 10μM
|
CAH15-4-E |
Carbonic Anhydrase 15 (cluster #4 Of 6), Eukaryotic |
Eukaryotes |
634 |
0.62 |
Binding ≤ 10μM
|
CAH2-1-E |
Carbonic Anhydrase II (cluster #1 Of 15), Eukaryotic |
Eukaryotes |
6800 |
0.52 |
Binding ≤ 10μM
|
CAH4-14-E |
Carbonic Anhydrase IV (cluster #14 Of 16), Eukaryotic |
Eukaryotes |
8590 |
0.51 |
Binding ≤ 10μM
|
CAH5A-6-E |
Carbonic Anhydrase VA (cluster #6 Of 10), Eukaryotic |
Eukaryotes |
21 |
0.77 |
Binding ≤ 10μM
|
CAH5B-9-E |
Carbonic Anhydrase VB (cluster #9 Of 9), Eukaryotic |
Eukaryotes |
6033 |
0.52 |
Binding ≤ 10μM
|
CAH6-2-E |
Carbonic Anhydrase VI (cluster #2 Of 8), Eukaryotic |
Eukaryotes |
89 |
0.71 |
Binding ≤ 10μM
|
CAH7-8-E |
Carbonic Anhydrase VII (cluster #8 Of 8), Eukaryotic |
Eukaryotes |
117 |
0.69 |
Binding ≤ 10μM
|
CAH9-9-E |
Carbonic Anhydrase IX (cluster #9 Of 11), Eukaryotic |
Eukaryotes |
5 |
0.83 |
Binding ≤ 10μM
|
CAN-1-F |
Carbonic Anhydrase (cluster #1 Of 3), Fungal |
Fungi |
106 |
0.70 |
Binding ≤ 10μM
|
Q3I4V7-3-F |
Carbonic Anhydrase 2 (cluster #3 Of 4), Fungal |
Fungi |
970 |
0.60 |
Binding ≤ 10μM
|
Q5AJ71-1-F |
Carbonic Anhydrase (cluster #1 Of 4), Fungal |
Fungi |
942 |
0.60 |
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)
|
0.72 |
-0.51 |
-18.88 |
2 |
5 |
0 |
86 |
212.23 |
2 |
↓
|
|