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)	-0.28	3.15	-69.72	3	12	0	147	531.573	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.47	3.55	-20.48	3	12	0	140	531.573	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.47	5.78	-47.56	4	12	1	141	532.581	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.28	0.91	-50.8	2	12	-1	146	530.565	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.28	0.96	-50.64	2	12	-1	146	530.565	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.47	5.84	-49.64	4	12	1	141	532.581	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.47	3.59	-19.48	3	12	0	140	531.573	6	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ADA17-1-E	ADAM17 (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
ADA17_HUMAN	P78536	ADAM17, Human	0.18	0.35	Binding ≤ 1μM
ADA17_HUMAN	P78536	ADAM17, Human	0.18	0.35	Binding ≤ 10μM

Description	Species
Activated NOTCH1 Transmits Signal to the Nucleus	Homo sapiens (ADA17_HUMAN)
Collagen degradation	Homo sapiens (ADA17_HUMAN)
Constitutive Signaling by NOTCH1 HD Domain Mutants	Homo sapiens (ADA17_HUMAN)
Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants	Homo sapiens (ADA17_HUMAN)
Constitutive Signaling by NOTCH1 PEST Domain Mutants	Homo sapiens (ADA17_HUMAN)
Constitutive Signaling by NOTCH1 t(7;9)(NOTCH1:M1580_K2555) Translocation Mutant	Homo sapiens (ADA17_HUMAN)
Growth hormone receptor signaling	Homo sapiens (ADA17_HUMAN)
Nuclear signaling by ERBB4	Homo sapiens (ADA17_HUMAN)
Regulated proteolysis of p75NTR	Homo sapiens (ADA17_HUMAN)
Release of Hh-Np from the secreting cell	Homo sapiens (ADA17_HUMAN)
Signaling by EGFR	Homo sapiens (ADA17_HUMAN)
TNF signaling	Homo sapiens (ADA17_HUMAN)