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)	3.91	9.67	-47.57	3	4	1	57	365.497	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.91	7.47	-12.85	2	4	0	56	364.489	7	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KCNH2-5-E	HERG (cluster #5 Of 5), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	4000	0.28	Binding ≤ 10μM
OPRK-1-E	Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	342	0.34	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	659	0.32	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
KCNH2_HUMAN	Q12809	HERG, Human	0.25	0.50	Binding ≤ 1μM
OPRK_HUMAN	P41145	Kappa Opioid Receptor, Human	342	0.34	Binding ≤ 1μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	659	0.32	Binding ≤ 1μM
OPRD_HUMAN	P41143	Delta Opioid Receptor, Human	4000	0.28	Binding ≤ 10μM
KCNH2_HUMAN	Q12809	HERG, Human	0.25	0.50	Binding ≤ 10μM
OPRK_HUMAN	P41145	Kappa Opioid Receptor, Human	342	0.34	Binding ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	659	0.32	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)