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)	2.93	6.04	-45.97	3	4	1	49	259.377	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.93	4.71	-4.29	2	4	0	44	258.369	4	↓ 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	79	0.52	Binding ≤ 10μM
SC6A3-1-E	Dopamine Transporter (cluster #1 Of 3), Eukaryotic	Eukaryotes	32	0.55	Binding ≤ 10μM
SC6A4-3-E	Serotonin Transporter (cluster #3 Of 4), Eukaryotic	Eukaryotes	4	0.62	Binding ≤ 10μM
CP2D6-3-E	Cytochrome P450 2D6 (cluster #3 Of 3), Eukaryotic	Eukaryotes	40	0.55	ADME/T ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
SC6A3_HUMAN	Q01959	Dopamine Transporter, Human	31.6227766	0.55	Binding ≤ 1μM
SC6A2_HUMAN	P23975	Norepinephrine Transporter, Human	79.4328235	0.52	Binding ≤ 1μM
SC6A4_HUMAN	P31645	Serotonin Transporter, Human	3.98107171	0.62	Binding ≤ 1μM
SC6A3_HUMAN	Q01959	Dopamine Transporter, Human	31.6227766	0.55	Binding ≤ 10μM
SC6A2_HUMAN	P23975	Norepinephrine Transporter, Human	79.4328235	0.52	Binding ≤ 10μM
SC6A4_HUMAN	P31645	Serotonin Transporter, Human	3.98107171	0.62	Binding ≤ 10μM
CP2D6_HUMAN	P10635	Cytochrome P450 2D6, Human	40	0.55	ADME/T ≤ 10μM

Description	Species
CYP2E1 reactions	Homo sapiens (CP2D6_HUMAN)
Dopamine clearance from the synaptic cleft	Homo sapiens (SC6A3_HUMAN)
Fatty acids	Homo sapiens (CP2D6_HUMAN)
Miscellaneous substrates	Homo sapiens (CP2D6_HUMAN)
Na+/Cl- dependent neurotransmitter transporters	Homo sapiens (SC6A2_HUMAN)
Xenobiotics	Homo sapiens (CP2D6_HUMAN)