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)	2.77	4.09	-34.12	3	3	1	46	256.753	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.77	2.91	-2.89	2	3	0	41	255.745	1	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
SC6A2-1-E	Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic	Eukaryotes	830	0.50	Binding ≤ 10μM
SC6A3-1-E	Dopamine Transporter (cluster #1 Of 3), Eukaryotic	Eukaryotes	285	0.54	Binding ≤ 10μM
SC6A4-3-E	Serotonin Transporter (cluster #3 Of 4), Eukaryotic	Eukaryotes	4600	0.44	Binding ≤ 10μM
Z104283-2-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #2 Of 2), Other	Other	9200	0.41	Functional ≤ 10μM
Z104288-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 1), Other	Other	5100	0.44	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
SC6A3_HUMAN	Q01959	Dopamine Transporter, Human	285	0.54	Binding ≤ 1μM
SC6A2_HUMAN	P23975	Norepinephrine Transporter, Human	830	0.50	Binding ≤ 1μM
SC6A3_HUMAN	Q01959	Dopamine Transporter, Human	285	0.54	Binding ≤ 10μM
SC6A2_HUMAN	P23975	Norepinephrine Transporter, Human	830	0.50	Binding ≤ 10μM
SC6A4_HUMAN	P31645	Serotonin Transporter, Human	4600	0.44	Binding ≤ 10μM
Z104288	Z104288	Neuronal Acetylcholine Receptor; Alpha3/beta4	5100	0.44	Functional ≤ 10μM
Z104283	Z104283	Neuronal Acetylcholine Receptor; Alpha4/beta2	9200	0.41	Functional ≤ 10μM