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)	3.43	3.33	-12.77	2	5	0	62	406.276	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.43	4.09	-53.44	1	5	-1	65	405.268	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.43	5.67	-53.97	3	5	1	63	407.284	2	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ADA1A-1-E	Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	1	0.50	Binding ≤ 10μM
ADA1B-1-E	Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	135	0.38	Binding ≤ 10μM
DRD1-1-E	Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	66	0.40	Binding ≤ 10μM
DRD2-2-E	Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic	Eukaryotes	740	0.34	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
ADA1A_RAT	P43140	Alpha-1a Adrenergic Receptor, Rat	1.17489755	0.50	Binding ≤ 1μM
ADA1B_RAT	P15823	Alpha-1b Adrenergic Receptor, Rat	134.896288	0.38	Binding ≤ 1μM
DRD1_RAT	P18901	Dopamine D1 Receptor, Rat	49	0.41	Binding ≤ 1μM
DRD2_RAT	P61169	Dopamine D2 Receptor, Rat	740	0.34	Binding ≤ 1μM
ADA1A_RAT	P43140	Alpha-1a Adrenergic Receptor, Rat	1.17489755	0.50	Binding ≤ 10μM
ADA1B_RAT	P15823	Alpha-1b Adrenergic Receptor, Rat	134.896288	0.38	Binding ≤ 10μM
DRD1_RAT	P18901	Dopamine D1 Receptor, Rat	49	0.41	Binding ≤ 10μM
DRD2_RAT	P61169	Dopamine D2 Receptor, Rat	1050	0.33	Binding ≤ 10μM

ZINC 12

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