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)	6.06	15.23	-50.44	2	5	1	46	533.136	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.06	13.03	-10.9	1	5	0	45	532.128	8	↓ MOL2 SDF SMILES Flexibase

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
5HT1A-1-E	Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	22	0.28	Binding ≤ 10μM
5HT2A-1-E	Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	470	0.23	Binding ≤ 10μM
5HT2B-2-E	Serotonin 2b (5-HT2b) Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	470	0.23	Binding ≤ 10μM
5HT2C-2-E	Serotonin 2c (5-HT2c) Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	470	0.23	Binding ≤ 10μM
ADA1A-1-E	Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	80	0.26	Binding ≤ 10μM
ADA1B-1-E	Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	80	0.26	Binding ≤ 10μM
ADA1D-1-E	Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	80	0.26	Binding ≤ 10μM
DRD1-1-E	Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	970	0.22	Binding ≤ 10μM
DRD3-1-E	Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
DRD4-2-E	Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	33	0.28	Binding ≤ 10μM
DRD3-1-E	Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	18	0.29	Functional ≤ 10μM
DRD2-17-E	Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic	Eukaryotes	42	0.27	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
ADA1A_HUMAN	P35348	Alpha-1a Adrenergic Receptor, Human	80	0.26	Binding ≤ 1μM
ADA1B_HUMAN	P35368	Alpha-1b Adrenergic Receptor, Human	80	0.26	Binding ≤ 1μM
ADA1D_HUMAN	P25100	Alpha-1d Adrenergic Receptor, Human	80	0.26	Binding ≤ 1μM
DRD1_HUMAN	P21728	Dopamine D1 Receptor, Human	970	0.22	Binding ≤ 1μM
DRD2_HUMAN	P14416	Dopamine D2 Receptor, Human	28	0.28	Binding ≤ 1μM
DRD3_HUMAN	P35462	Dopamine D3 Receptor, Human	0.46	0.34	Binding ≤ 1μM
DRD4_HUMAN	P21917	Dopamine D4 Receptor, Human	33	0.28	Binding ≤ 1μM
5HT1A_HUMAN	P08908	Serotonin 1a (5-HT1a) Receptor, Human	22	0.28	Binding ≤ 1μM
5HT2A_HUMAN	P28223	Serotonin 2a (5-HT2a) Receptor, Human	470	0.23	Binding ≤ 1μM
5HT2B_HUMAN	P41595	Serotonin 2b (5-HT2b) Receptor, Human	470	0.23	Binding ≤ 1μM
5HT2C_HUMAN	P28335	Serotonin 2c (5-HT2c) Receptor, Human	470	0.23	Binding ≤ 1μM
ADA1A_HUMAN	P35348	Alpha-1a Adrenergic Receptor, Human	80	0.26	Binding ≤ 10μM
ADA1B_HUMAN	P35368	Alpha-1b Adrenergic Receptor, Human	80	0.26	Binding ≤ 10μM
ADA1D_HUMAN	P25100	Alpha-1d Adrenergic Receptor, Human	80	0.26	Binding ≤ 10μM
DRD1_HUMAN	P21728	Dopamine D1 Receptor, Human	970	0.22	Binding ≤ 10μM
DRD2_HUMAN	P14416	Dopamine D2 Receptor, Human	28	0.28	Binding ≤ 10μM
DRD3_HUMAN	P35462	Dopamine D3 Receptor, Human	0.46	0.34	Binding ≤ 10μM
DRD4_HUMAN	P21917	Dopamine D4 Receptor, Human	33	0.28	Binding ≤ 10μM
5HT1A_HUMAN	P08908	Serotonin 1a (5-HT1a) Receptor, Human	22	0.28	Binding ≤ 10μM
5HT2A_HUMAN	P28223	Serotonin 2a (5-HT2a) Receptor, Human	470	0.23	Binding ≤ 10μM
5HT2B_HUMAN	P41595	Serotonin 2b (5-HT2b) Receptor, Human	470	0.23	Binding ≤ 10μM
5HT2C_HUMAN	P28335	Serotonin 2c (5-HT2c) Receptor, Human	470	0.23	Binding ≤ 10μM
DRD3_HUMAN	P35462	Dopamine D3 Receptor, Human	18	0.29	Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description	Species
Adrenoceptors	Homo sapiens (ADA1D_HUMAN)
Dopamine receptors	Homo sapiens (DRD2_HUMAN)
G alpha (12/13) signalling events	Homo sapiens (ADA1D_HUMAN)
G alpha (i) signalling events	Homo sapiens (5HT1A_HUMAN)
G alpha (q) signalling events	Homo sapiens (ADA1D_HUMAN)
G alpha (s) signalling events	Homo sapiens (DRD1_HUMAN)
Serotonin receptors	Homo sapiens (5HT1A_HUMAN)