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)	-0.75	8.85	-124.17	5	11	-2	197	457.468	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.75	6.87	-67.32	6	11	-1	194	458.476	9	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DYR-1-E	Dihydrofolate Reductase (cluster #1 Of 3), Eukaryotic	Eukaryotes	420	0.28	Binding ≤ 10μM
TYSY-1-E	Thymidylate Synthase (cluster #1 Of 3), Eukaryotic	Eukaryotes	90	0.31	Binding ≤ 10μM
TYSY-1-B	Thymidylate Synthase (cluster #1 Of 1), Bacterial	Bacteria	540	0.27	Binding ≤ 10μM
Z80064-1-O	CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other	Other	2900	0.24	Functional ≤ 10μM
Z80408-1-O	R1-CCRF-CEM (Lymphoblastic Leukemia) (cluster #1 Of 1), Other	Other	7050	0.23	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DYR_HUMAN	P00374	Dihydrofolate Reductase, Human	420	0.28	Binding ≤ 1μM
TYSY_ECOLI	P0A884	Thymidylate Synthase, Ecoli	540	0.27	Binding ≤ 1μM
TYSY_HUMAN	P04818	Thymidylate Synthase, Human	90	0.31	Binding ≤ 1μM
DYR_HUMAN	P00374	Dihydrofolate Reductase, Human	420	0.28	Binding ≤ 10μM
TYSY_ECOLI	P0A884	Thymidylate Synthase, Ecoli	540	0.27	Binding ≤ 10μM
TYSY_HUMAN	P04818	Thymidylate Synthase, Human	90	0.31	Binding ≤ 10μM
Z80064	Z80064	CCRF-CEM (T-cell Leukemia)	2700	0.24	Functional ≤ 10μM
Z80408	Z80408	R1-CCRF-CEM (Lymphoblastic Leukemia)	7050	0.23	Functional ≤ 10μM

Description	Species
E2F mediated regulation of DNA replication	Homo sapiens (DYR_HUMAN)
G1/S-Specific Transcription	Homo sapiens (DYR_HUMAN)
Metabolism of folate and pterines	Homo sapiens (DYR_HUMAN)
Pyrimidine biosynthesis	Homo sapiens (TYSY_HUMAN)
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation	Homo sapiens (DYR_HUMAN)