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)	2.82	2.38	-18.51	3	10	0	124	452.467	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.08	-1.61	-49.19	4	10	1	133	453.475	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.08	-1.5	-47.39	4	10	1	133	453.475	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.08	-1.34	-43.81	4	10	1	133	453.475	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.08	-1.43	-44.31	4	10	1	133	453.475	9	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
IMDH1-1-E	Inosine-5'-monophosphate Dehydrogenase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7	0.35	Binding ≤ 10μM
IMDH2-1-E	Inosine-5'-monophosphate Dehydrogenase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7	0.35	Binding ≤ 10μM
Z50676-1-O	Dengue Virus (cluster #1 Of 2), Other	Other	8000	0.22	Functional ≤ 10μM
Z80874-1-O	CEM (T-cell Leukemia) (cluster #1 Of 7), Other	Other	490	0.27	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
IMDH1_HUMAN	P20839	Inosine-5'-monophosphate Dehydrogenase 1, Human	7	0.35	Binding ≤ 1μM
IMDH2_HUMAN	P12268	Inosine-5'-monophosphate Dehydrogenase 2, Human	10	0.34	Binding ≤ 1μM
IMDH1_HUMAN	P20839	Inosine-5'-monophosphate Dehydrogenase 1, Human	7	0.35	Binding ≤ 10μM
IMDH2_HUMAN	P12268	Inosine-5'-monophosphate Dehydrogenase 2, Human	10	0.34	Binding ≤ 10μM
Z80874	Z80874	CEM (T-cell Leukemia)	430	0.27	Functional ≤ 10μM
Z50676	Z50676	Dengue Virus	8000	0.22	Functional ≤ 10μM