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)	5.59	12.96	-37.85	2	3	1	34	388.531	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.59	10.42	-6.22	1	3	0	33	387.523	8	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ESR1-1-E	Estrogen Receptor Alpha (cluster #1 Of 5), Eukaryotic	Eukaryotes	1	0.43	Binding ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 4), Eukaryotic	Eukaryotes	1	0.43	Binding ≤ 10μM
ESR1-1-E	Estrogen Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	510	0.30	Functional ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic	Eukaryotes	510	0.30	Functional ≤ 10μM
Z80224-1-O	MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other	Other	3	0.41	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
ESR1_BOVIN	P49884	Estrogen Receptor Alpha, Bovin	0.5	0.45	Binding ≤ 1μM
ESR1_HUMAN	P03372	Estrogen Receptor Alpha, Human	0.5	0.45	Binding ≤ 1μM
ESR2_HUMAN	Q92731	Estrogen Receptor Beta, Human	0.5	0.45	Binding ≤ 1μM
ESR2_MOUSE	O08537	Estrogen Receptor Beta, Mouse	0.5	0.45	Binding ≤ 1μM
ESR1_BOVIN	P49884	Estrogen Receptor Alpha, Bovin	0.5	0.45	Binding ≤ 10μM
ESR1_HUMAN	P03372	Estrogen Receptor Alpha, Human	0.5	0.45	Binding ≤ 10μM
ESR2_HUMAN	Q92731	Estrogen Receptor Beta, Human	0.5	0.45	Binding ≤ 10μM
ESR2_MOUSE	O08537	Estrogen Receptor Beta, Mouse	0.5	0.45	Binding ≤ 10μM
ESR1_HUMAN	P03372	Estrogen Receptor Alpha, Human	0.8	0.44	Functional ≤ 10μM
ESR2_HUMAN	Q92731	Estrogen Receptor Beta, Human	0.8	0.44	Functional ≤ 10μM
Z80224	Z80224	MCF7 (Breast Carcinoma Cells)	2.6	0.41	Functional ≤ 10μM