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)	3.16	11.56	-18.22	1	6	0	80	386.814	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.16	12.08	-57.16	2	6	1	81	387.822	5	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANDR-1-E	Androgen Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	3900	0.28	Functional ≤ 10μM
GCR-1-E	Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	2200	0.29	Functional ≤ 10μM
MCR-1-E	Mineralocorticoid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	9	0.42	Functional ≤ 10μM
CP2C9-1-E	Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1000	0.31	ADME/T ≤ 10μM
CP3A4-2-E	Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic	Eukaryotes	200	0.35	ADME/T ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
ANDR_HUMAN	P10275	Androgen Receptor, Human	3900	0.28	Functional ≤ 10μM
GCR_HUMAN	P04150	Glucocorticoid Receptor, Human	2200	0.29	Functional ≤ 10μM
MCR_HUMAN	P08235	Mineralocorticoid Receptor, Human	9	0.42	Functional ≤ 10μM
CP2C9_HUMAN	P11712	Cytochrome P450 2C9, Human	1000	0.31	ADME/T ≤ 10μM
CP3A4_HUMAN	P08684	Cytochrome P450 3A4, Human	200	0.35	ADME/T ≤ 10μM

Description	Species
Aflatoxin activation and detoxification	Homo sapiens (CP3A4_HUMAN)
BMAL1:CLOCK,NPAS2 activates circadian gene expression	Homo sapiens (GCR_HUMAN)
CYP2E1 reactions	Homo sapiens (CP2C9_HUMAN)
Nuclear Receptor transcription pathway	Homo sapiens (ANDR_HUMAN)
Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE)	Homo sapiens (CP2C9_HUMAN)
Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET)	Homo sapiens (CP2C9_HUMAN)
Xenobiotics	Homo sapiens (CP3A4_HUMAN)