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)	0.47	1.82	-18.01	2	11	0	133	476.559	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.93	-0.01	-57.52	1	11	-1	136	475.551	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.47	4.13	-54.89	3	11	1	134	477.567	7	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE1A-1-E	Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	0.25	Binding ≤ 10μM
PDE1B-1-E	Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	0.25	Binding ≤ 10μM
PDE1C-1-E	Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	0.25	Binding ≤ 10μM
PDE5A-1-E	Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic	Eukaryotes	10	0.34	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE1A_HUMAN	P54750	Phosphodiesterase 1A, Human	1000	0.25	Binding ≤ 1μM
PDE1B_HUMAN	Q01064	Phosphodiesterase 1B, Human	1000	0.25	Binding ≤ 1μM
PDE1C_HUMAN	Q14123	Phosphodiesterase 1C, Human	1000	0.25	Binding ≤ 1μM
PDE5A_HUMAN	O76074	Phosphodiesterase 5A, Human	10	0.34	Binding ≤ 1μM
PDE1A_HUMAN	P54750	Phosphodiesterase 1A, Human	1000	0.25	Binding ≤ 10μM
PDE1B_HUMAN	Q01064	Phosphodiesterase 1B, Human	1000	0.25	Binding ≤ 10μM
PDE1C_HUMAN	Q14123	Phosphodiesterase 1C, Human	1000	0.25	Binding ≤ 10μM
PDE5A_HUMAN	O76074	Phosphodiesterase 5A, Human	10	0.34	Binding ≤ 10μM

ZINC 12

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