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)	3.21	9.61	-59.11	3	5	1	60	448.562	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.21	7.32	-14.4	2	5	0	59	447.554	5	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
5HT1B-1-E	Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	281	0.28	Binding ≤ 10μM
5HT1D-1-E	Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	56	0.31	Binding ≤ 10μM
SC6A4-1-E	Serotonin Transporter (cluster #1 Of 4), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
Z104304-1-O	Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other	Other	16	0.33	Binding ≤ 10μM
DRD2-4-E	Dopamine D2 Receptor (cluster #4 Of 24), Eukaryotic	Eukaryotes	5	0.35	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104304	Z104304	Adrenergic Receptor Alpha-1	16	0.33	Binding ≤ 1μM
DRD2_RAT	P61169	Dopamine D2 Receptor, Rat	4.7	0.35	Binding ≤ 1μM
5HT1B_HUMAN	P28222	Serotonin 1b (5-HT1b) Receptor, Human	281	0.28	Binding ≤ 1μM
5HT1D_HUMAN	P28221	Serotonin 1d (5-HT1d) Receptor, Human	56	0.31	Binding ≤ 1μM
SC6A4_HUMAN	P31645	Serotonin Transporter, Human	0.8	0.39	Binding ≤ 1μM
Z104304	Z104304	Adrenergic Receptor Alpha-1	16	0.33	Binding ≤ 10μM
DRD2_RAT	P61169	Dopamine D2 Receptor, Rat	4.7	0.35	Binding ≤ 10μM
5HT1B_HUMAN	P28222	Serotonin 1b (5-HT1b) Receptor, Human	281	0.28	Binding ≤ 10μM
5HT1D_HUMAN	P28221	Serotonin 1d (5-HT1d) Receptor, Human	56	0.31	Binding ≤ 10μM
SC6A4_HUMAN	P31645	Serotonin Transporter, Human	0.8	0.39	Binding ≤ 10μM

Description	Species
Dopamine receptors	Rattus norvegicus (DRD2_RAT)
G alpha (i) signalling events	Rattus norvegicus (DRD2_RAT) Homo sapiens (5HT1D_HUMAN)
Serotonin receptors	Homo sapiens (5HT1D_HUMAN)