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)	1.67	3.34	-64.75	5	9	1	126	483.504	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.67	2.98	-11.24	4	9	0	125	482.496	2	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CHK1-1-E	Serine/threonine-protein Kinase Chk1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	0.33	Binding ≤ 10μM
Z80166-1-O	HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other	Other	200	0.26	Functional ≤ 10μM
Z80186-1-O	K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other	Other	200	0.26	Functional ≤ 10μM
Z80193-2-O	L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other	Other	200	0.26	Functional ≤ 10μM
Z80682-1-O	A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other	Other	200	0.26	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CHK1_HUMAN	O14757	Serine/threonine-protein Kinase Chk1, Human	2.8	0.33	Binding ≤ 1μM
CHK1_HUMAN	O14757	Serine/threonine-protein Kinase Chk1, Human	2.8	0.33	Binding ≤ 10μM
Z80682	Z80682	A549 (Lung Carcinoma Cells)	200	0.26	Functional ≤ 10μM
Z80166	Z80166	HT-29 (Colon Adenocarcinoma Cells)	200	0.26	Functional ≤ 10μM
Z80186	Z80186	K562 (Erythroleukemia Cells)	200	0.26	Functional ≤ 10μM
Z80193	Z80193	L1210 (Lymphocytic Leukemia Cells)	200	0.26	Functional ≤ 10μM

Description	Species
Activation of ATR in response to replication stress	Homo sapiens (CHK1_HUMAN)
Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex	Homo sapiens (CHK1_HUMAN)
G2/M DNA damage checkpoint	Homo sapiens (CHK1_HUMAN)
Signaling by SCF-KIT	Homo sapiens (CHK1_HUMAN)
Ubiquitin Mediated Degradation of Phosphorylated Cdc25A	Homo sapiens (CHK1_HUMAN)