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)	2.35	4.76	-11.99	2	5	0	71	278.315	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.35	5.18	-40.11	3	5	1	72	279.323	1	↓ 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	520	0.42	Binding ≤ 10μM
PDE3B-2-E	Phosphodiesterase 3B (cluster #2 Of 2), Eukaryotic	Eukaryotes	520	0.42	Binding ≤ 10μM
PDE4A-3-E	Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic	Eukaryotes	520	0.42	Binding ≤ 10μM
PDE4B-2-E	Phosphodiesterase 4B (cluster #2 Of 2), Eukaryotic	Eukaryotes	520	0.42	Binding ≤ 10μM
PDE4C-2-E	Phosphodiesterase 4C (cluster #2 Of 2), Eukaryotic	Eukaryotes	520	0.42	Binding ≤ 10μM
PDE4D-2-E	Phosphodiesterase 4D (cluster #2 Of 2), Eukaryotic	Eukaryotes	520	0.42	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE3A_HUMAN	Q14432	Phosphodiesterase 3A, Human	520	0.42	Binding ≤ 1μM
PDE3B_HUMAN	Q13370	Phosphodiesterase 3B, Human	520	0.42	Binding ≤ 1μM
PDE4A_HUMAN	P27815	Phosphodiesterase 4A, Human	520	0.42	Binding ≤ 1μM
PDE4B_HUMAN	Q07343	Phosphodiesterase 4B, Human	520	0.42	Binding ≤ 1μM
PDE4C_HUMAN	Q08493	Phosphodiesterase 4C, Human	520	0.42	Binding ≤ 1μM
PDE4D_HUMAN	Q08499	Phosphodiesterase 4D, Human	520	0.42	Binding ≤ 1μM
PDE3A_HUMAN	Q14432	Phosphodiesterase 3A, Human	520	0.42	Binding ≤ 10μM
PDE3B_HUMAN	Q13370	Phosphodiesterase 3B, Human	520	0.42	Binding ≤ 10μM
PDE4A_HUMAN	P27815	Phosphodiesterase 4A, Human	520	0.42	Binding ≤ 10μM
PDE4B_HUMAN	Q07343	Phosphodiesterase 4B, Human	520	0.42	Binding ≤ 10μM
PDE4C_HUMAN	Q08493	Phosphodiesterase 4C, Human	520	0.42	Binding ≤ 10μM
PDE4D_HUMAN	Q08499	Phosphodiesterase 4D, Human	520	0.42	Binding ≤ 10μM

ZINC 12

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