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)	2.92	6.11	-11.39	1	6	0	74	483.556	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.92	6.57	-44.11	2	6	1	75	484.564	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.92	7.79	-48.9	2	6	1	75	484.564	7	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DHI1-1-E	11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	33	0.32	Binding ≤ 10μM
KCNH2-1-E	HERG (cluster #1 Of 5), Eukaryotic	Eukaryotes	440	0.27	Binding ≤ 10μM
CP3A4-2-E	Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic	Eukaryotes	440	0.27	ADME/T ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DHI1_HUMAN	P28845	11-beta-hydroxysteroid Dehydrogenase 1, Human	0.4	0.40	Binding ≤ 1μM
KCNH2_HUMAN	Q12809	HERG, Human	440	0.27	Binding ≤ 1μM
DHI1_HUMAN	P28845	11-beta-hydroxysteroid Dehydrogenase 1, Human	0.4	0.40	Binding ≤ 10μM
KCNH2_HUMAN	Q12809	HERG, Human	440	0.27	Binding ≤ 10μM
CP3A4_HUMAN	P08684	Cytochrome P450 3A4, Human	440	0.27	ADME/T ≤ 10μM

Description	Species
Aflatoxin activation and detoxification	Homo sapiens (CP3A4_HUMAN)
Glucocorticoid biosynthesis	Homo sapiens (DHI1_HUMAN)
Voltage gated Potassium channels	Homo sapiens (KCNH2_HUMAN)
Xenobiotics	Homo sapiens (CP3A4_HUMAN)