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)	2.45	6.48	-30.63	5	4	1	76	316.469	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.45	5.82	-6.05	4	4	0	75	315.461	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.45	6.15	-40.49	5	4	1	77	316.469	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.45	6.81	-112.69	6	4	2	78	317.477	10	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S1PR1-1-E	Sphingosine 1-phosphate Receptor Edg-1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2700	0.34	Binding ≤ 10μM
S1PR3-1-E	Sphingosine 1-phosphate Receptor Edg-3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2700	0.34	Binding ≤ 10μM
S1PR4-1-E	Sphingosine 1-phosphate Receptor Edg-6 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7400	0.31	Binding ≤ 10μM
S1PR5-1-E	Sphingosine 1-phosphate Receptor Edg-8 (cluster #1 Of 2), Eukaryotic	Eukaryotes	860	0.37	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
S1PR5_HUMAN	Q9H228	Sphingosine 1-phosphate Receptor Edg-8, Human	860	0.37	Binding ≤ 1μM
S1PR1_HUMAN	P21453	Sphingosine 1-phosphate Receptor Edg-1, Human	2700	0.34	Binding ≤ 10μM
S1PR3_HUMAN	Q99500	Sphingosine 1-phosphate Receptor Edg-3, Human	2700	0.34	Binding ≤ 10μM
S1PR4_HUMAN	O95977	Sphingosine 1-phosphate Receptor Edg-6, Human	7400	0.31	Binding ≤ 10μM
S1PR5_HUMAN	Q9H228	Sphingosine 1-phosphate Receptor Edg-8, Human	860	0.37	Binding ≤ 10μM