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)	1.43	1.93	-14.7	4	6	0	99	320.389	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.43	3.15	-58.18	3	6	-1	101	319.381	6	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MMP1-1-E	Matrix Metalloproteinase-1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1087	0.36	Binding ≤ 10μM
MMP2-1-E	72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic	Eukaryotes	1533	0.35	Binding ≤ 10μM
MMP8-1-E	Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic	Eukaryotes	303	0.40	Binding ≤ 10μM
MMP9-2-E	Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic	Eukaryotes	4200	0.33	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
MMP8_HUMAN	P22894	Matrix Metalloproteinase 8, Human	303	0.40	Binding ≤ 1μM
MMP8_HUMAN	P22894	Matrix Metalloproteinase 8, Human	303	0.40	Binding ≤ 10μM
MMP9_HUMAN	P14780	Matrix Metalloproteinase 9, Human	4200	0.33	Binding ≤ 10μM
MMP1_HUMAN	P03956	Matrix Metalloproteinase-1, Human	1087	0.36	Binding ≤ 10μM
MMP2_HUMAN	P08253	Matrix Metalloproteinase-2, Human	1533	0.35	Binding ≤ 10μM

Description	Species
Activation of Matrix Metalloproteinases	Homo sapiens (MMP1_HUMAN)
Assembly of collagen fibrils and other multimeric structures	Homo sapiens (MMP9_HUMAN)
Basigin interactions	Homo sapiens (MMP1_HUMAN)
Collagen degradation	Homo sapiens (MMP1_HUMAN)
Degradation of the extracellular matrix	Homo sapiens (MMP1_HUMAN)
EPH-ephrin mediated repulsion of cells	Homo sapiens (MMP2_HUMAN)
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l	Homo sapiens (MMP1_HUMAN)
Signaling by SCF-KIT	Homo sapiens (MMP9_HUMAN)