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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.36	-2.63	-48.57	3	8	-1	136	303.382	11	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.36	-1.96	-83.2	2	8	-2	134	302.374	11	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.36	-3.3	-22.51	4	8	0	139	304.39	11	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CAH1-8-E	Carbonic Anhydrase I (cluster #8 Of 12), Eukaryotic	Eukaryotes	378	0.50	Binding ≤ 10μM
CAH12-5-E	Carbonic Anhydrase XII (cluster #5 Of 9), Eukaryotic	Eukaryotes	8	0.63	Binding ≤ 10μM
CAH13-3-E	Carbonic Anhydrase XIII (cluster #3 Of 7), Eukaryotic	Eukaryotes	569	0.49	Binding ≤ 10μM
CAH14-5-E	Carbonic Anhydrase XIV (cluster #5 Of 8), Eukaryotic	Eukaryotes	605	0.48	Binding ≤ 10μM
CAH2-10-E	Carbonic Anhydrase II (cluster #10 Of 15), Eukaryotic	Eukaryotes	15	0.61	Binding ≤ 10μM
CAH3-4-E	Carbonic Anhydrase III (cluster #4 Of 6), Eukaryotic	Eukaryotes	1128	0.46	Binding ≤ 10μM
CAH4-7-E	Carbonic Anhydrase IV (cluster #7 Of 16), Eukaryotic	Eukaryotes	84	0.55	Binding ≤ 10μM
CAH5A-3-E	Carbonic Anhydrase VA (cluster #3 Of 10), Eukaryotic	Eukaryotes	1202	0.46	Binding ≤ 10μM
CAH5B-3-E	Carbonic Anhydrase VB (cluster #3 Of 9), Eukaryotic	Eukaryotes	1457	0.45	Binding ≤ 10μM
CAH6-2-E	Carbonic Anhydrase VI (cluster #2 Of 8), Eukaryotic	Eukaryotes	1020	0.47	Binding ≤ 10μM
CAH7-5-E	Carbonic Anhydrase VII (cluster #5 Of 8), Eukaryotic	Eukaryotes	80	0.55	Binding ≤ 10μM
CAH9-6-E	Carbonic Anhydrase IX (cluster #6 Of 11), Eukaryotic	Eukaryotes	4	0.65	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CAH1_HUMAN	P00915	Carbonic Anhydrase I, Human	378	0.50	Binding ≤ 1μM
CAH2_HUMAN	P00918	Carbonic Anhydrase II, Human	14.6	0.61	Binding ≤ 1μM
CAH4_HUMAN	P22748	Carbonic Anhydrase IV, Human	84.1	0.55	Binding ≤ 1μM
CAH9_HUMAN	Q16790	Carbonic Anhydrase IX, Human	4	0.65	Binding ≤ 1μM
CAH7_HUMAN	P43166	Carbonic Anhydrase VII, Human	79.6	0.55	Binding ≤ 1μM
CAH12_HUMAN	O43570	Carbonic Anhydrase XII, Human	7.9	0.63	Binding ≤ 1μM
CAH13_MOUSE	Q9D6N1	Carbonic Anhydrase XIII, Mouse	569	0.49	Binding ≤ 1μM
CAH14_HUMAN	Q9ULX7	Carbonic Anhydrase XIV, Human	605	0.48	Binding ≤ 1μM
CAH1_HUMAN	P00915	Carbonic Anhydrase I, Human	378	0.50	Binding ≤ 10μM
CAH2_HUMAN	P00918	Carbonic Anhydrase II, Human	14.6	0.61	Binding ≤ 10μM
CAH3_HUMAN	P07451	Carbonic Anhydrase III, Human	1128	0.46	Binding ≤ 10μM
CAH4_HUMAN	P22748	Carbonic Anhydrase IV, Human	84.1	0.55	Binding ≤ 10μM
CAH9_HUMAN	Q16790	Carbonic Anhydrase IX, Human	4	0.65	Binding ≤ 10μM
CAH5A_HUMAN	P35218	Carbonic Anhydrase VA, Human	1202	0.46	Binding ≤ 10μM
CAH5B_HUMAN	Q9Y2D0	Carbonic Anhydrase VB, Human	1457	0.45	Binding ≤ 10μM
CAH6_HUMAN	P23280	Carbonic Anhydrase VI, Human	1020	0.47	Binding ≤ 10μM
CAH7_HUMAN	P43166	Carbonic Anhydrase VII, Human	79.6	0.55	Binding ≤ 10μM
CAH12_HUMAN	O43570	Carbonic Anhydrase XII, Human	7.9	0.63	Binding ≤ 10μM
CAH13_MOUSE	Q9D6N1	Carbonic Anhydrase XIII, Mouse	569	0.49	Binding ≤ 10μM
CAH14_HUMAN	Q9ULX7	Carbonic Anhydrase XIV, Human	605	0.48	Binding ≤ 10μM

Description	Species
Erythrocytes take up carbon dioxide and release oxygen	Homo sapiens (CAH1_HUMAN)
Erythrocytes take up oxygen and release carbon dioxide	Homo sapiens (CAH1_HUMAN)
Regulation of gene expression by Hypoxia-inducible Factor	Homo sapiens (CAH9_HUMAN)
Reversible hydration of carbon dioxide	Mus musculus (CAH13_MOUSE) Homo sapiens (CAH12_HUMAN)

ZINC 12

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