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)	2.65	6.28	-64.28	4	6	1	109	392.405	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.65	5.12	-18.7	3	6	0	105	391.397	8	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CATB-1-E	Cathepsin B (cluster #1 Of 6), Eukaryotic	Eukaryotes	2512	0.28	Binding ≤ 10μM
CATK-1-E	Cathepsin K (cluster #1 Of 3), Eukaryotic	Eukaryotes	3	0.43	Binding ≤ 10μM
CATL1-1-E	Cathepsin L (cluster #1 Of 5), Eukaryotic	Eukaryotes	10000	0.25	Binding ≤ 10μM
CATS-1-E	Cathepsin S (cluster #1 Of 2), Eukaryotic	Eukaryotes	16	0.39	Binding ≤ 10μM
KCNH2-5-E	HERG (cluster #5 Of 5), Eukaryotic	Eukaryotes	3160	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CATK_HUMAN	P43235	Cathepsin K, Human	3	0.43	Binding ≤ 1μM
CATS_HUMAN	P25774	Cathepsin S, Human	16	0.39	Binding ≤ 1μM
CATB_HUMAN	P07858	Cathepsin B, Human	2512	0.28	Binding ≤ 10μM
CATK_HUMAN	P43235	Cathepsin K, Human	3	0.43	Binding ≤ 10μM
CATL1_HUMAN	P07711	Cathepsin L, Human	10000	0.25	Binding ≤ 10μM
CATS_HUMAN	P25774	Cathepsin S, Human	16	0.39	Binding ≤ 10μM
KCNH2_HUMAN	Q12809	HERG, Human	3000	0.28	Binding ≤ 10μM

Description	Species
Activation of Matrix Metalloproteinases	Homo sapiens (CATK_HUMAN)
Assembly of collagen fibrils and other multimeric structures	Homo sapiens (CATL1_HUMAN)
Collagen degradation	Homo sapiens (CATL1_HUMAN)
Degradation of the extracellular matrix	Homo sapiens (CATL1_HUMAN)
Endosomal/Vacuolar pathway	Homo sapiens (CATL1_HUMAN)
MHC class II antigen presentation	Homo sapiens (CATL1_HUMAN)
Trafficking and processing of endosomal TLR	Homo sapiens (CATL1_HUMAN)
Voltage gated Potassium channels	Homo sapiens (KCNH2_HUMAN)