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)	1.11	-3.71	-17.79	4	7	0	118	380.662	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.11	-4.11	-42.69	3	7	-1	120	379.654	2	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
ALOGPS_SOLUBILITY	4.15e-01 g/l	DrugBank-approved
Therapy	diuretic, antihypertensive	SMDC Iconix
PUBCHEM_PATENT_ID	EP0002867A1; EP0009657A1; EP0018542A1; EP0032725A1; EP0042299A1; EP0043548A1; EP0051706A1; EP0053902A1; EP0061186A1; EP0061187A1; EP0063896A1; EP0064385A1; EP0077529A2; EP0083172A2; EP0091964A1; EP0091964B2; EP0094687A1; EP0097050A1; EP0097534A2; EP009978	IBM Patent Data

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CAH1-5-E	Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic	Eukaryotes	345	0.45	Binding ≤ 10μM
CAH12-1-E	Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic	Eukaryotes	312	0.46	Binding ≤ 10μM
CAH13-1-E	Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic	Eukaryotes	645	0.43	Binding ≤ 10μM
CAH14-1-E	Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic	Eukaryotes	3450	0.38	Binding ≤ 10μM
CAH2-6-E	Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic	Eukaryotes	91	0.49	Binding ≤ 10μM
CAH4-1-E	Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic	Eukaryotes	449	0.44	Binding ≤ 10μM
CAH5A-1-E	Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic	Eukaryotes	763	0.43	Binding ≤ 10μM
CAH5B-1-E	Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic	Eukaryotes	134	0.48	Binding ≤ 10μM
CAH6-7-E	Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic	Eukaryotes	2459	0.39	Binding ≤ 10μM
CAH7-1-E	Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic	Eukaryotes	8	0.57	Binding ≤ 10μM
CAH9-1-E	Carbonic Anhydrase IX (cluster #1 Of 11), Eukaryotic	Eukaryotes	87	0.49	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CAH1_HUMAN	P00915	Carbonic Anhydrase I, Human	345	0.45	Binding ≤ 1μM
CAH2_HUMAN	P00918	Carbonic Anhydrase II, Human	91	0.49	Binding ≤ 1μM
CAH4_HUMAN	P22748	Carbonic Anhydrase IV, Human	449	0.44	Binding ≤ 1μM
CAH9_HUMAN	Q16790	Carbonic Anhydrase IX, Human	87	0.49	Binding ≤ 1μM
CAH5A_HUMAN	P35218	Carbonic Anhydrase VA, Human	763	0.43	Binding ≤ 1μM
CAH5B_HUMAN	Q9Y2D0	Carbonic Anhydrase VB, Human	134	0.48	Binding ≤ 1μM
CAH7_HUMAN	P43166	Carbonic Anhydrase VII, Human	7.9	0.57	Binding ≤ 1μM
CAH12_HUMAN	O43570	Carbonic Anhydrase XII, Human	312	0.46	Binding ≤ 1μM
CAH13_MOUSE	Q9D6N1	Carbonic Anhydrase XIII, Mouse	645	0.43	Binding ≤ 1μM
CAH1_HUMAN	P00915	Carbonic Anhydrase I, Human	345	0.45	Binding ≤ 10μM
CAH2_HUMAN	P00918	Carbonic Anhydrase II, Human	91	0.49	Binding ≤ 10μM
CAH4_HUMAN	P22748	Carbonic Anhydrase IV, Human	449	0.44	Binding ≤ 10μM
CAH9_HUMAN	Q16790	Carbonic Anhydrase IX, Human	87	0.49	Binding ≤ 10μM
CAH5A_HUMAN	P35218	Carbonic Anhydrase VA, Human	763	0.43	Binding ≤ 10μM
CAH5B_HUMAN	Q9Y2D0	Carbonic Anhydrase VB, Human	134	0.48	Binding ≤ 10μM
CAH6_HUMAN	P23280	Carbonic Anhydrase VI, Human	2459	0.39	Binding ≤ 10μM
CAH7_HUMAN	P43166	Carbonic Anhydrase VII, Human	7.9	0.57	Binding ≤ 10μM
CAH12_HUMAN	O43570	Carbonic Anhydrase XII, Human	312	0.46	Binding ≤ 10μM
CAH13_MOUSE	Q9D6N1	Carbonic Anhydrase XIII, Mouse	645	0.43	Binding ≤ 10μM
CAH14_HUMAN	Q9ULX7	Carbonic Anhydrase XIV, Human	3450	0.38	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)