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)	5.84	12.8	-43.15	2	2	1	20	385.522	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.84	14.91	-39.23	2	2	1	16	385.522	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.84	15.05	-119.53	3	2	2	21	386.53	7	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACM1-2-E	Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	454	0.32	Binding ≤ 10μM
SC6A2-1-E	Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic	Eukaryotes	2920	0.28	Binding ≤ 10μM
SC6A3-1-E	Dopamine Transporter (cluster #1 Of 3), Eukaryotic	Eukaryotes	22	0.38	Binding ≤ 10μM
SC6A4-3-E	Serotonin Transporter (cluster #3 Of 4), Eukaryotic	Eukaryotes	2640	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
SC6A3_RAT	P23977	Dopamine Transporter, Rat	21.5	0.38	Binding ≤ 1μM
ACM1_HUMAN	P11229	Muscarinic Acetylcholine Receptor M1, Human	454	0.32	Binding ≤ 1μM
SC6A3_RAT	P23977	Dopamine Transporter, Rat	21.5	0.38	Binding ≤ 10μM
ACM1_HUMAN	P11229	Muscarinic Acetylcholine Receptor M1, Human	454	0.32	Binding ≤ 10μM
SC6A2_HUMAN	P23975	Norepinephrine Transporter, Human	2920	0.28	Binding ≤ 10μM
SC6A4_HUMAN	P31645	Serotonin Transporter, Human	2640	0.28	Binding ≤ 10μM

Description	Species
Dopamine clearance from the synaptic cleft	Rattus norvegicus (SC6A3_RAT)
G alpha (q) signalling events	Homo sapiens (ACM1_HUMAN)
Muscarinic acetylcholine receptors	Homo sapiens (ACM1_HUMAN)
Na+/Cl- dependent neurotransmitter transporters	Homo sapiens (SC6A2_HUMAN) Rattus norvegicus (SC6A3_RAT)