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)	2.23	9.46	-44.59	3	8	1	98	450.611	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.23	9.39	-45.1	3	8	1	98	450.611	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.23	6.99	-11.7	2	8	0	97	449.603	9	↓ 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	0	0.00	Binding ≤ 10μM
CATL1-1-E	Cathepsin L (cluster #1 Of 5), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
CATS-2-E	Cathepsin S (cluster #2 Of 2), Eukaryotic	Eukaryotes	3	0.36	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CATK_HUMAN	P43235	Cathepsin K, Human	0.1	0.42	Binding ≤ 1μM
CATL1_HUMAN	P07711	Cathepsin L, Human	0.33	0.40	Binding ≤ 1μM
CATS_HUMAN	P25774	Cathepsin S, Human	2.5	0.36	Binding ≤ 1μM
CATK_HUMAN	P43235	Cathepsin K, Human	0.1	0.42	Binding ≤ 10μM
CATL1_HUMAN	P07711	Cathepsin L, Human	0.33	0.40	Binding ≤ 10μM
CATS_HUMAN	P25774	Cathepsin S, Human	2.5	0.36	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)