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)	5.60	13.78	-18.05	4	6	0	108	594.653	13	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.78	10.68	-41.48	3	6	-1	114	593.645	13	↓ 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	27	0.25	Binding ≤ 10μM
CATF-1-E	Cathepsin F (cluster #1 Of 1), Eukaryotic	Eukaryotes	37	0.24	Binding ≤ 10μM
CATL1-1-E	Cathepsin L (cluster #1 Of 5), Eukaryotic	Eukaryotes	426	0.21	Binding ≤ 10μM
CYSP-1-E	Cruzipain (cluster #1 Of 4), Eukaryotic	Eukaryotes	3	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CATB_HUMAN	P07858	Cathepsin B, Human	27	0.25	Binding ≤ 1μM
CATF_HUMAN	Q9UBX1	Cathepsin F, Human	37	0.24	Binding ≤ 1μM
CATL1_HUMAN	P07711	Cathepsin L, Human	426	0.21	Binding ≤ 1μM
CYSP_TRYCR	P25779	Cruzipain, Trycr	3	0.28	Binding ≤ 1μM
CATB_HUMAN	P07858	Cathepsin B, Human	27	0.25	Binding ≤ 10μM
CATF_HUMAN	Q9UBX1	Cathepsin F, Human	37	0.24	Binding ≤ 10μM
CATL1_HUMAN	P07711	Cathepsin L, Human	426	0.21	Binding ≤ 10μM
CYSP_TRYCR	P25779	Cruzipain, Trycr	3	0.28	Binding ≤ 10μM

Description	Species
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)