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)	3.92	13.61	-108	2	3	2	33	355.913	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.92	11.29	-39.39	1	3	1	31	354.905	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.92	11.35	-39.42	1	3	1	31	354.905	5	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NOS1-1-E	Nitric-oxide Synthase, Brain (cluster #1 Of 7), Eukaryotic	Eukaryotes	1800	0.32	Binding ≤ 10μM
NOS2-3-E	Nitric Oxide Synthase, Inducible (cluster #3 Of 9), Eukaryotic	Eukaryotes	3500	0.31	Binding ≤ 10μM
NOS3-3-E	Nitric Oxide Synthase, Endothelial (cluster #3 Of 7), Eukaryotic	Eukaryotes	4300	0.30	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
NOS2_HUMAN	P35228	Nitric Oxide Synthase, Inducible, Human	270	0.37	Binding ≤ 1μM
NOS2_HUMAN	P35228	Nitric Oxide Synthase, Inducible, Human	270	0.37	Binding ≤ 10μM
NOS1_HUMAN	P29475	Nitric-oxide Synthase, Brain, Human	1800	0.32	Binding ≤ 10μM
NOS3_HUMAN	P29474	Nitric-oxide Synthase, Endothelial, Human	4300	0.30	Binding ≤ 10μM

Description	Species
eNOS activation	Homo sapiens (NOS3_HUMAN)
Nitric oxide stimulates guanylate cyclase	Homo sapiens (NOS3_HUMAN)
NOSIP mediated eNOS trafficking	Homo sapiens (NOS3_HUMAN)
NOSTRIN mediated eNOS trafficking	Homo sapiens (NOS3_HUMAN)
Phagosomal maturation (early endosomal stage)	Homo sapiens (NOS3_HUMAN)
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation	Homo sapiens (NOS3_HUMAN)
VEGFR2 mediated vascular permeability	Homo sapiens (NOS3_HUMAN)