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)	4.24	6.35	-59.95	3	3	1	50	379.324	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.24	5.78	-11.48	2	3	0	45	378.316	4	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
ALOGPS_SOLUBILITY	3.80e-02 g/l	DrugBank-approved
Target	Antifection	Selleck Chemicals
Therapy	antimalarial	SMDC MicroSource
PUBCHEM_PATENT_ID	EP0966285A1; WO1998039003A1; WO1999026627A1	IBM Patent Data
PUBCHEM_PATENT_ID	EP0966285A1; WO1999026627A1; WO2000013682A2	IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT	NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : MZ-3011; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER; 1 hydrogen chloride	NIH Clinical Collection via PubChem
Target	Others	Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT	SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: MZ-3011; SALT: 1 hydrogen chloride; SUPPLIER_COMMENTS: WHITE POWDER	NIH Clinical Collection via PubChem

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA2AR-2-E	Adenosine A2a Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	6553	0.28	Binding ≤ 10μM
KCNH2-5-E	HERG (cluster #5 Of 5), Eukaryotic	Eukaryotes	5250	0.28	Binding ≤ 10μM
KCNH2-5-E	HERG (cluster #5 Of 5), Eukaryotic	Eukaryotes	5623	0.28	Binding ≤ 10μM
Z102013-2-O	Plasmodium Malariae (cluster #2 Of 2), Other	Other	47	0.39	Functional ≤ 10μM
Z102015-1-O	Plasmodium Vivax (cluster #1 Of 1), Other	Other	9	0.43	Functional ≤ 10μM
Z50417-3-O	Leishmania Infantum (cluster #3 Of 4), Other	Other	7000	0.28	Functional ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	5	0.45	Functional ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	91	0.38	Functional ≤ 10μM
Z50426-6-O	Plasmodium Falciparum (isolate K1 / Thailand) (cluster #6 Of 9), Other	Other	8	0.44	Functional ≤ 10μM
Z80211-1-O	LoVo (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other	Other	7900	0.27	Functional ≤ 10μM
Z80418-1-O	RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #1 Of 2), Other	Other	6500	0.28	ADME/T ≤ 10μM
Z81135-3-O	L6 (Skeletal Muscle Myoblast Cells) (cluster #3 Of 6), Other	Other	4760	0.29	ADME/T ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA2AR_HUMAN	P29274	Adenosine A2a Receptor, Human	6553	0.28	Binding ≤ 10μM
KCNH2_HUMAN	Q12809	HERG, Human	5250	0.28	Binding ≤ 10μM
Z50417	Z50417	Leishmania Infantum	7000	0.28	Functional ≤ 10μM
Z80211	Z80211	LoVo (Colon Adenocarcinoma Cells)	7900	0.27	Functional ≤ 10μM
Z50425	Z50425	Plasmodium Falciparum	1.9	0.47	Functional ≤ 10μM
Z50426	Z50426	Plasmodium Falciparum (isolate K1 / Thailand)	12	0.43	Functional ≤ 10μM
Z102013	Z102013	Plasmodium Malariae	36.8	0.40	Functional ≤ 10μM
Z102015	Z102015	Plasmodium Vivax	10.2	0.43	Functional ≤ 10μM
Z81135	Z81135	L6 (Skeletal Muscle Myoblast Cells)	4760	0.29	ADME/T ≤ 10μM
Z80418	Z80418	RAW264.7 (Monocytic-macrophage Leukemia Cells)	6500	0.28	ADME/T ≤ 10μM

Description	Species
Adenosine P1 receptors	Homo sapiens (AA2AR_HUMAN)
G alpha (s) signalling events	Homo sapiens (AA2AR_HUMAN)
NGF-independant TRKA activation	Homo sapiens (AA2AR_HUMAN)
Voltage gated Potassium channels	Homo sapiens (KCNH2_HUMAN)