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)	3.51	11.59	-45.08	1	4	1	28	350.486	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.51	9.29	-8.59	0	4	0	27	349.478	6	↓ MOL2 SDF SMILES Flexibase

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	124	0.37	Binding ≤ 10μM
5HT7R-1-E	Serotonin 7 (5-HT7) Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	74	0.38	Binding ≤ 10μM
DRD3-1-E	Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	80	0.38	Binding ≤ 10μM
DRD5-1-E	Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	313	0.35	Binding ≤ 10μM
DRD2-1-E	Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	153	0.37	Functional ≤ 10μM
DRD2-11-E	Dopamine D2 Receptor (cluster #11 Of 24), Eukaryotic	Eukaryotes	162	0.37	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DRD2_HUMAN	P14416	Dopamine D2 Receptor, Human	162	0.37	Binding ≤ 1μM
DRD3_HUMAN	P35462	Dopamine D3 Receptor, Human	80	0.38	Binding ≤ 1μM
DRD5_HUMAN	P21918	Dopamine D5 Receptor, Human	313	0.35	Binding ≤ 1μM
5HT1A_HUMAN	P08908	Serotonin 1a (5-HT1a) Receptor, Human	124	0.37	Binding ≤ 1μM
5HT7R_HUMAN	P34969	Serotonin 7 (5-HT7) Receptor, Human	74	0.38	Binding ≤ 1μM
DRD2_HUMAN	P14416	Dopamine D2 Receptor, Human	162	0.37	Binding ≤ 10μM
DRD3_HUMAN	P35462	Dopamine D3 Receptor, Human	80	0.38	Binding ≤ 10μM
DRD5_HUMAN	P21918	Dopamine D5 Receptor, Human	313	0.35	Binding ≤ 10μM
5HT1A_HUMAN	P08908	Serotonin 1a (5-HT1a) Receptor, Human	124	0.37	Binding ≤ 10μM
5HT7R_HUMAN	P34969	Serotonin 7 (5-HT7) Receptor, Human	74	0.38	Binding ≤ 10μM
DRD2_HUMAN	P14416	Dopamine D2 Receptor, Human	153	0.37	Functional ≤ 10μM

ZINC 12

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