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)	4.24	9.53	-33.63	1	3	1	31	386.253	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.24	8.19	-6.5	0	3	0	30	385.245	3	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Q9WTR4-1-E	Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic	Eukaryotes	36	0.52	Binding ≤ 10μM
SC6A3-1-E	Dopamine Transporter (cluster #1 Of 3), Eukaryotic	Eukaryotes	2	0.61	Binding ≤ 10μM
SC6A4-4-E	Serotonin Transporter (cluster #4 Of 4), Eukaryotic	Eukaryotes	4	0.59	Binding ≤ 10μM
VACHT-1-E	Vesicular Acetylcholine Transporter (cluster #1 Of 1), Eukaryotic	Eukaryotes	5700	0.37	Binding ≤ 10μM
VMAT1-1-E	Vesicular Amine Transporter 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5700	0.37	Binding ≤ 10μM
VMAT2-1-E	Synaptic Vesicular Amine Transporter (cluster #1 Of 2), Eukaryotic	Eukaryotes	5700	0.37	Binding ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 5), Other	Other	0	0.00	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
SC6A3_HUMAN	Q01959	Dopamine Transporter, Human	1.08	0.63	Binding ≤ 1μM
SC6A3_RAT	P23977	Dopamine Transporter, Rat	1	0.63	Binding ≤ 1μM
Q9WTR4_RAT	Q9WTR4	Norepinephrine Transporter, Rat	21.6	0.54	Binding ≤ 1μM
Z50597	Z50597	Rattus Norvegicus	0.42	0.66	Binding ≤ 1μM
SC6A4_RAT	P31652	Serotonin Transporter, Rat	0.38	0.66	Binding ≤ 1μM
SC6A4_HUMAN	P31645	Serotonin Transporter, Human	2.53	0.60	Binding ≤ 1μM
VMAT2_RAT	Q01827	Synaptic Vesicular Amine Transporter, Rat	450	0.44	Binding ≤ 1μM
VACHT_RAT	Q62666	Vesicular Acetylcholine Transporter, Rat	450	0.44	Binding ≤ 1μM
VMAT1_RAT	Q01818	Vesicular Amine Transporter 1, Rat	450	0.44	Binding ≤ 1μM
SC6A3_HUMAN	Q01959	Dopamine Transporter, Human	1.08	0.63	Binding ≤ 10μM
SC6A3_RAT	P23977	Dopamine Transporter, Rat	1	0.63	Binding ≤ 10μM
Q9WTR4_RAT	Q9WTR4	Norepinephrine Transporter, Rat	21.6	0.54	Binding ≤ 10μM
Z50597	Z50597	Rattus Norvegicus	0.42	0.66	Binding ≤ 10μM
SC6A4_RAT	P31652	Serotonin Transporter, Rat	0.38	0.66	Binding ≤ 10μM
SC6A4_HUMAN	P31645	Serotonin Transporter, Human	2.53	0.60	Binding ≤ 10μM
VMAT2_RAT	Q01827	Synaptic Vesicular Amine Transporter, Rat	450	0.44	Binding ≤ 10μM
VACHT_RAT	Q62666	Vesicular Acetylcholine Transporter, Rat	450	0.44	Binding ≤ 10μM
VMAT1_RAT	Q01818	Vesicular Amine Transporter 1, Rat	450	0.44	Binding ≤ 10μM

Description	Species
Dopamine clearance from the synaptic cleft	Homo sapiens (SC6A3_HUMAN) Rattus norvegicus (SC6A3_RAT)
Dopamine Neurotransmitter Release Cycle	Rattus norvegicus (VMAT2_RAT)
Na+/Cl- dependent neurotransmitter transporters	Homo sapiens (SC6A3_HUMAN) Rattus norvegicus (SC6A3_RAT)
Norepinephrine Neurotransmitter Release Cycle	Rattus norvegicus (VMAT2_RAT)
Serotonin Neurotransmitter Release Cycle	Rattus norvegicus (VMAT2_RAT)