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)	1.95	2	-18.22	1	5	0	64	268.219	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.40	1.23	-53.71	0	5	-1	67	267.211	4	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE3A-2-E	Phosphodiesterase 3A (cluster #2 Of 2), Eukaryotic	Eukaryotes	2000	0.42	Binding ≤ 10μM
PDE3B-2-E	Phosphodiesterase 3B (cluster #2 Of 2), Eukaryotic	Eukaryotes	2000	0.42	Binding ≤ 10μM
PDE4A-1-E	Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic	Eukaryotes	4000	0.40	Binding ≤ 10μM
PDE4B-1-E	Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic	Eukaryotes	4000	0.40	Binding ≤ 10μM
PDE4C-1-E	Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic	Eukaryotes	4000	0.40	Binding ≤ 10μM
PDE4D-1-E	Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic	Eukaryotes	4000	0.40	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE3A_HUMAN	Q14432	Phosphodiesterase 3A, Human	2000	0.42	Binding ≤ 10μM
PDE3B_HUMAN	Q13370	Phosphodiesterase 3B, Human	2000	0.42	Binding ≤ 10μM
PDE4A_HUMAN	P27815	Phosphodiesterase 4A, Human	4000	0.40	Binding ≤ 10μM
PDE4B_HUMAN	Q07343	Phosphodiesterase 4B, Human	4000	0.40	Binding ≤ 10μM
PDE4C_HUMAN	Q08493	Phosphodiesterase 4C, Human	4000	0.40	Binding ≤ 10μM
PDE4D_HUMAN	Q08499	Phosphodiesterase 4D, Human	4000	0.40	Binding ≤ 10μM

ZINC 12

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