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)	6.17	14	-40.82	2	5	1	50	499.723	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.17	11.78	-8.54	1	5	0	48	498.715	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.17	13.84	-34.74	2	5	1	50	499.723	7	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
PUBCHEM_PATENT_ID	WO2000031037A1	IBM Patent Data

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NK2R-1-E	Neurokinin 2 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.34	Binding ≤ 10μM
NK3R-1-E	Neurokinin 3 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.33	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	195	0.25	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	195	0.25	Binding ≤ 1μM
NK2R_HUMAN	P21452	Neurokinin 2 Receptor, Human	0.7	0.35	Binding ≤ 1μM
NK3R_HUMAN	P29371	Neurokinin 3 Receptor, Human	1.9	0.33	Binding ≤ 1μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	195	0.25	Binding ≤ 10μM
NK2R_HUMAN	P21452	Neurokinin 2 Receptor, Human	0.7	0.35	Binding ≤ 10μM
NK3R_HUMAN	P29371	Neurokinin 3 Receptor, Human	1.9	0.33	Binding ≤ 10μM

Description	Species
G alpha (i) signalling events	Homo sapiens (OPRM_HUMAN)
G alpha (q) signalling events	Homo sapiens (NK2R_HUMAN)
G-protein activation	Homo sapiens (OPRM_HUMAN)
Opioid Signalling	Homo sapiens (OPRM_HUMAN)
Peptide ligand-binding receptors	Homo sapiens (OPRM_HUMAN)
Tachykinin receptors bind tachykinins	Homo sapiens (NK2R_HUMAN)