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)	0.93	1.25	-64.16	3	3	1	49	199.299	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.39	0.62	-81.19	2	3	0	53	198.291	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.39	-0.11	-48.49	3	3	1	50	199.299	1	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRA1-5-E	GABA Receptor Alpha-1 Subunit (cluster #5 Of 8), Eukaryotic	Eukaryotes	2200	0.61	Binding ≤ 10μM
GBRB3-1-E	GABA Receptor Beta-3 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	2200	0.61	Binding ≤ 10μM
GBRG2-1-E	GABA Receptor Gamma-2 Subunit (cluster #1 Of 7), Eukaryotic	Eukaryotes	2200	0.61	Binding ≤ 10μM
GBRA1-2-E	GABA Receptor Alpha-1 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	2880	0.60	Functional ≤ 10μM
GBRB3-1-E	GABA Receptor Beta-3 Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	2880	0.60	Functional ≤ 10μM
GBRG2-1-E	GABA Receptor Gamma-2 Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	2880	0.60	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRA1_RAT	P62813	GABA Receptor Alpha-1 Subunit, Rat	2200	0.61	Binding ≤ 10μM
GBRB3_RAT	P63079	GABA Receptor Beta-3 Subunit, Rat	2200	0.61	Binding ≤ 10μM
GBRG2_RAT	P18508	GABA Receptor Gamma-2 Subunit, Rat	2200	0.61	Binding ≤ 10μM
GBRA1_HUMAN	P14867	GABA Receptor Alpha-1 Subunit, Human	2880	0.60	Functional ≤ 10μM
GBRB3_HUMAN	P28472	GABA Receptor Beta-3 Subunit, Human	2880	0.60	Functional ≤ 10μM
GBRG2_HUMAN	P18507	GABA Receptor Gamma-2 Subunit, Human	2880	0.60	Functional ≤ 10μM

Description	Species
GABA A receptor activation	Homo sapiens (GBRA1_HUMAN) Rattus norvegicus (GBRG2_RAT)
Ligand-gated ion channel transport	Rattus norvegicus (GBRG2_RAT) Homo sapiens (GBRA1_HUMAN)