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)	2.46	11.31	-12.75	0	6	0	77	372.465	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.46	11.75	-42.37	1	6	1	78	373.473	8	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
PUBCHEM_PATENT_ID	EP0769006A1; EP0769006B1; EP0992492A1; EP0998263A1; US5795908; US5859031; US5945441; US6140357; WO1996040633A1; WO1998055090A1; WO1999014998A2; WO2000009108A2; WO2000009124A1; WO2000016603A2	IBM Patent Data

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FKB1A-1-E	FK506-binding Protein 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.42	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FKB1A_HUMAN	P62942	FK506-binding Protein 1A, Human	9	0.42	Binding ≤ 1μM
FKB1A_HUMAN	P62942	FK506-binding Protein 1A, Human	9	0.42	Binding ≤ 10μM

Description	Species
TGF-beta receptor signaling activates SMADs	Homo sapiens (FKB1A_HUMAN)
TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition)	Homo sapiens (FKB1A_HUMAN)
TGFBR1 KD Mutants in Cancer	Homo sapiens (FKB1A_HUMAN)
TGFBR1 LBD Mutants in Cancer	Homo sapiens (FKB1A_HUMAN)
TGFBR2 Kinase Domain Mutants in Cancer	Homo sapiens (FKB1A_HUMAN)