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)	4.48	7.35	-109.58	4	6	-1	120	378.47	17	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.48	6.92	-131.55	3	6	-2	119	377.462	17	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.48	6.15	-50.94	5	6	0	117	379.478	17	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S1PR1-2-E	Sphingosine 1-phosphate Receptor Edg-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	6	0.46	Binding ≤ 10μM
S1PR3-3-E	Sphingosine 1-phosphate Receptor Edg-3 (cluster #3 Of 3), Eukaryotic	Eukaryotes	2	0.49	Binding ≤ 10μM
S1PR4-2-E	Sphingosine 1-phosphate Receptor Edg-6 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1	0.50	Binding ≤ 10μM
S1PR5-2-E	Sphingosine 1-phosphate Receptor Edg-8 (cluster #2 Of 2), Eukaryotic	Eukaryotes	2	0.49	Binding ≤ 10μM
Z80156-3-O	HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other	Other	31	0.42	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
S1PR1_HUMAN	P21453	Sphingosine 1-phosphate Receptor Edg-1, Human	0.78	0.51	Binding ≤ 1μM
S1PR3_HUMAN	Q99500	Sphingosine 1-phosphate Receptor Edg-3, Human	0.92	0.51	Binding ≤ 1μM
S1PR4_HUMAN	O95977	Sphingosine 1-phosphate Receptor Edg-6, Human	1.04	0.50	Binding ≤ 1μM
S1PR5_HUMAN	Q9H228	Sphingosine 1-phosphate Receptor Edg-8, Human	2	0.49	Binding ≤ 1μM
S1PR1_HUMAN	P21453	Sphingosine 1-phosphate Receptor Edg-1, Human	0.78	0.51	Binding ≤ 10μM
S1PR3_HUMAN	Q99500	Sphingosine 1-phosphate Receptor Edg-3, Human	0.92	0.51	Binding ≤ 10μM
S1PR4_HUMAN	O95977	Sphingosine 1-phosphate Receptor Edg-6, Human	1.04	0.50	Binding ≤ 10μM
S1PR5_HUMAN	Q9H228	Sphingosine 1-phosphate Receptor Edg-8, Human	2	0.49	Binding ≤ 10μM
Z80156	Z80156	HL-60 (Promyeloblast Leukemia Cells)	31	0.42	Functional ≤ 10μM