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)	4.96	11.52	-41.61	2	2	1	25	362.537	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.96	9.25	-3.85	1	2	0	23	361.529	1	↓ MOL2 SDF SMILES Flexibase

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DRD1-1-E	Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	2	0.45	Binding ≤ 10μM
DRD3-1-E	Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	4	0.44	Binding ≤ 10μM
DRD4-3-E	Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic	Eukaryotes	2	0.45	Binding ≤ 10μM
DRD5-1-E	Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.45	Binding ≤ 10μM
SCN1A-1-E	Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	3600	0.28	Binding ≤ 10μM
SCN2A-1-E	Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	3600	0.28	Binding ≤ 10μM
SCN3A-1-E	Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	3600	0.28	Binding ≤ 10μM
SCN8A-1-E	Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	3600	0.28	Binding ≤ 10μM
DRD1-1-E	Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	12	0.41	Functional ≤ 10μM
DRD2-1-E	Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	12	0.41	Functional ≤ 10μM
DRD3-1-E	Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	12	0.41	Functional ≤ 10μM
DRD4-1-E	Dopamine D4 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	12	0.41	Functional ≤ 10μM
DRD5-1-E	Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	12	0.41	Functional ≤ 10μM
DRD2-2-E	Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic	Eukaryotes	2	0.45	Binding ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	5012	0.27	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DRD1_RAT	P18901	Dopamine D1 Receptor, Rat	12	0.41	Binding ≤ 1μM
DRD2_HUMAN	P14416	Dopamine D2 Receptor, Human	0.5	0.48	Binding ≤ 1μM
DRD2_RAT	P61169	Dopamine D2 Receptor, Rat	0.5	0.48	Binding ≤ 1μM
DRD3_RAT	P19020	Dopamine D3 Receptor, Rat	12	0.41	Binding ≤ 1μM
DRD4_RAT	P30729	Dopamine D4 Receptor, Rat	12	0.41	Binding ≤ 1μM
DRD5_RAT	P25115	Dopamine D5 Receptor, Rat	12	0.41	Binding ≤ 1μM
DRD1_RAT	P18901	Dopamine D1 Receptor, Rat	12	0.41	Binding ≤ 10μM
DRD2_HUMAN	P14416	Dopamine D2 Receptor, Human	0.5	0.48	Binding ≤ 10μM
DRD2_RAT	P61169	Dopamine D2 Receptor, Rat	0.5	0.48	Binding ≤ 10μM
DRD3_RAT	P19020	Dopamine D3 Receptor, Rat	12	0.41	Binding ≤ 10μM
DRD4_RAT	P30729	Dopamine D4 Receptor, Rat	12	0.41	Binding ≤ 10μM
DRD5_RAT	P25115	Dopamine D5 Receptor, Rat	12	0.41	Binding ≤ 10μM
SCN1A_HUMAN	P35498	Sodium Channel Protein Type I Alpha Subunit, Human	3600	0.28	Binding ≤ 10μM
SCN2A_HUMAN	Q99250	Sodium Channel Protein Type II Alpha Subunit, Human	3600	0.28	Binding ≤ 10μM
SCN3A_HUMAN	Q9NY46	Sodium Channel Protein Type III Alpha Subunit, Human	3600	0.28	Binding ≤ 10μM
SCN8A_HUMAN	Q9UQD0	Sodium Channel Protein Type VIII Alpha Subunit, Human	3600	0.28	Binding ≤ 10μM
DRD1_RAT	P18901	Dopamine D1 Receptor, Rat	12	0.41	Functional ≤ 10μM
DRD2_RAT	P61169	Dopamine D2 Receptor, Rat	12	0.41	Functional ≤ 10μM
DRD3_RAT	P19020	Dopamine D3 Receptor, Rat	12	0.41	Functional ≤ 10μM
DRD4_RAT	P30729	Dopamine D4 Receptor, Rat	12	0.41	Functional ≤ 10μM
DRD5_RAT	P25115	Dopamine D5 Receptor, Rat	12	0.41	Functional ≤ 10μM
Z50425	Z50425	Plasmodium Falciparum	1995.26231	0.30	Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description	Species
Dopamine receptors	Rattus norvegicus (DRD3_RAT) Homo sapiens (DRD2_HUMAN)
G alpha (i) signalling events	Homo sapiens (DRD2_HUMAN) Rattus norvegicus (DRD3_RAT)
Interaction between L1 and Ankyrins	Homo sapiens (SCN1A_HUMAN)