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)	4.15	10.72	-42.6	3	2	1	29	329.414	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.15	9.52	-40.99	3	2	1	29	329.414	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.15	10.76	-120.4	4	2	2	33	330.422	4	↓ 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	154	0.40	Binding ≤ 10μM
SC6A2-1-E	Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic	Eukaryotes	997	0.35	Binding ≤ 10μM
SC6A3-1-E	Dopamine Transporter (cluster #1 Of 3), Eukaryotic	Eukaryotes	8	0.47	Binding ≤ 10μM
SC6A4-3-E	Serotonin Transporter (cluster #3 Of 4), Eukaryotic	Eukaryotes	4150	0.31	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
SC6A3_RAT	P23977	Dopamine Transporter, Rat	8.45	0.47	Binding ≤ 1μM
ACM1_HUMAN	P11229	Muscarinic Acetylcholine Receptor M1, Human	154	0.40	Binding ≤ 1μM
SC6A2_HUMAN	P23975	Norepinephrine Transporter, Human	997	0.35	Binding ≤ 1μM
SC6A3_RAT	P23977	Dopamine Transporter, Rat	8.45	0.47	Binding ≤ 10μM
ACM1_HUMAN	P11229	Muscarinic Acetylcholine Receptor M1, Human	154	0.40	Binding ≤ 10μM
SC6A2_HUMAN	P23975	Norepinephrine Transporter, Human	997	0.35	Binding ≤ 10μM
SC6A4_HUMAN	P31645	Serotonin Transporter, Human	4150	0.31	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)