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)	1.75	0.67	-16.62	3	7	0	115	342.446	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.75	1.16	-48.91	2	7	-1	113	341.438	3	↓ MOL2 SDF SMILES Flexibase

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CAH1-10-E	Carbonic Anhydrase I (cluster #10 Of 12), Eukaryotic	Eukaryotes	883	0.39	Binding ≤ 10μM
CAH12-8-E	Carbonic Anhydrase XII (cluster #8 Of 9), Eukaryotic	Eukaryotes	3	0.54	Binding ≤ 10μM
CAH13-2-E	Carbonic Anhydrase XIII (cluster #2 Of 7), Eukaryotic	Eukaryotes	118	0.44	Binding ≤ 10μM
CAH14-7-E	Carbonic Anhydrase XIV (cluster #7 Of 8), Eukaryotic	Eukaryotes	8	0.52	Binding ≤ 10μM
CAH15-6-E	Carbonic Anhydrase 15 (cluster #6 Of 6), Eukaryotic	Eukaryotes	652	0.39	Binding ≤ 10μM
CAH2-11-E	Carbonic Anhydrase II (cluster #11 Of 15), Eukaryotic	Eukaryotes	11	0.51	Binding ≤ 10μM
CAH4-12-E	Carbonic Anhydrase IV (cluster #12 Of 16), Eukaryotic	Eukaryotes	65	0.46	Binding ≤ 10μM
CAH5A-2-E	Carbonic Anhydrase VA (cluster #2 Of 10), Eukaryotic	Eukaryotes	448	0.40	Binding ≤ 10μM
CAH5B-2-E	Carbonic Anhydrase VB (cluster #2 Of 9), Eukaryotic	Eukaryotes	440	0.40	Binding ≤ 10μM
CAH6-1-E	Carbonic Anhydrase VI (cluster #1 Of 8), Eukaryotic	Eukaryotes	765	0.39	Binding ≤ 10μM
CAH7-7-E	Carbonic Anhydrase VII (cluster #7 Of 8), Eukaryotic	Eukaryotes	35	0.47	Binding ≤ 10μM
CAH9-10-E	Carbonic Anhydrase IX (cluster #10 Of 11), Eukaryotic	Eukaryotes	6	0.52	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CAH15_MOUSE	Q99N23	Carbonic Anhydrase 15, Mouse	652	0.39	Binding ≤ 1μM
CAH1_HUMAN	P00915	Carbonic Anhydrase I, Human	850	0.39	Binding ≤ 1μM
CAH2_HUMAN	P00918	Carbonic Anhydrase II, Human	10	0.51	Binding ≤ 1μM
CAH4_BOVIN	Q95323	Carbonic Anhydrase IV, Bovin	65	0.46	Binding ≤ 1μM
CAH4_HUMAN	P22748	Carbonic Anhydrase IV, Human	349	0.41	Binding ≤ 1μM
CAH9_HUMAN	Q16790	Carbonic Anhydrase IX, Human	6.4	0.52	Binding ≤ 1μM
CAH5A_HUMAN	P35218	Carbonic Anhydrase VA, Human	448	0.40	Binding ≤ 1μM
CAH5B_HUMAN	Q9Y2D0	Carbonic Anhydrase VB, Human	440	0.40	Binding ≤ 1μM
CAH6_HUMAN	P23280	Carbonic Anhydrase VI, Human	765	0.39	Binding ≤ 1μM
CAH7_HUMAN	P43166	Carbonic Anhydrase VII, Human	35	0.47	Binding ≤ 1μM
CAH12_HUMAN	O43570	Carbonic Anhydrase XII, Human	2.8	0.54	Binding ≤ 1μM
CAH13_HUMAN	Q8N1Q1	Carbonic Anhydrase XIII, Human	118	0.44	Binding ≤ 1μM
CAH14_HUMAN	Q9ULX7	Carbonic Anhydrase XIV, Human	7.5	0.52	Binding ≤ 1μM
CAH15_MOUSE	Q99N23	Carbonic Anhydrase 15, Mouse	652	0.39	Binding ≤ 10μM
CAH1_HUMAN	P00915	Carbonic Anhydrase I, Human	850	0.39	Binding ≤ 10μM
CAH2_HUMAN	P00918	Carbonic Anhydrase II, Human	10	0.51	Binding ≤ 10μM
CAH4_BOVIN	Q95323	Carbonic Anhydrase IV, Bovin	65	0.46	Binding ≤ 10μM
CAH4_HUMAN	P22748	Carbonic Anhydrase IV, Human	349	0.41	Binding ≤ 10μM
CAH9_HUMAN	Q16790	Carbonic Anhydrase IX, Human	6.4	0.52	Binding ≤ 10μM
CAH5A_HUMAN	P35218	Carbonic Anhydrase VA, Human	448	0.40	Binding ≤ 10μM
CAH5B_HUMAN	Q9Y2D0	Carbonic Anhydrase VB, Human	440	0.40	Binding ≤ 10μM
CAH6_HUMAN	P23280	Carbonic Anhydrase VI, Human	765	0.39	Binding ≤ 10μM
CAH7_HUMAN	P43166	Carbonic Anhydrase VII, Human	35	0.47	Binding ≤ 10μM
CAH12_HUMAN	O43570	Carbonic Anhydrase XII, Human	2.8	0.54	Binding ≤ 10μM
CAH13_HUMAN	Q8N1Q1	Carbonic Anhydrase XIII, Human	118	0.44	Binding ≤ 10μM
CAH14_HUMAN	Q9ULX7	Carbonic Anhydrase XIV, Human	7.5	0.52	Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description	Species
Erythrocytes take up carbon dioxide and release oxygen	Bos taurus (CAH4_BOVIN) Homo sapiens (CAH1_HUMAN)
Erythrocytes take up oxygen and release carbon dioxide	Homo sapiens (CAH1_HUMAN) Bos taurus (CAH4_BOVIN)
Regulation of gene expression by Hypoxia-inducible Factor	Homo sapiens (CAH9_HUMAN)
Reversible hydration of carbon dioxide	Homo sapiens (CAH12_HUMAN) Bos taurus (CAH4_BOVIN)