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)	2.67	6.31	-28.04	1	8	0	96	444.417	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.67	8.63	-68.81	2	8	1	97	445.425	6	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CATK-1-E	Cathepsin K (cluster #1 Of 3), Eukaryotic	Eukaryotes	1175	0.26	Binding ≤ 10μM
CATS-1-E	Cathepsin S (cluster #1 Of 2), Eukaryotic	Eukaryotes	8	0.35	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CATS_HUMAN	P25774	Cathepsin S, Human	7.8	0.35	Binding ≤ 1μM
CATK_HUMAN	P43235	Cathepsin K, Human	1175	0.26	Binding ≤ 10μM
CATS_HUMAN	P25774	Cathepsin S, Human	7.8	0.35	Binding ≤ 10μM

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