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)	2.36	6.85	-50.11	3	6	1	91	429.562	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.36	4.67	-21.23	2	6	0	90	428.554	7	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KCNH2-1-E	HERG (cluster #1 Of 5), Eukaryotic	Eukaryotes	7	0.38	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	5389	0.25	Binding ≤ 10μM
OPRK-1-E	Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	39	0.35	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	576	0.29	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
KCNH2_HUMAN	Q12809	HERG, Human	6.6	0.38	Binding ≤ 1μM
OPRK_HUMAN	P41145	Kappa Opioid Receptor, Human	39	0.35	Binding ≤ 1μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	576	0.29	Binding ≤ 1μM
OPRD_HUMAN	P41143	Delta Opioid Receptor, Human	5389	0.25	Binding ≤ 10μM
KCNH2_HUMAN	Q12809	HERG, Human	6.6	0.38	Binding ≤ 10μM
OPRK_HUMAN	P41145	Kappa Opioid Receptor, Human	39	0.35	Binding ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	576	0.29	Binding ≤ 10μM

Description	Species
G alpha (i) signalling events	Homo sapiens (OPRM_HUMAN)
G-protein activation	Homo sapiens (OPRM_HUMAN)
Opioid Signalling	Homo sapiens (OPRM_HUMAN)
Peptide ligand-binding receptors	Homo sapiens (OPRM_HUMAN)
Voltage gated Potassium channels	Homo sapiens (KCNH2_HUMAN)