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)	2.29	0.53	-3.78	0	1	0	9	154.234	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.29	-0.43	-43.65	0	1	-1	9	153.226	2	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
BP	126 / 15	TCI
BP [°C]	90 - 95 (p=0.5 torr)	Acros Organics
Boiling_Point	90-95?/0.5mm	Alfa-Aesar
Boiling_Point	90-95°/0.5mm	Alfa-Aesar
H phrase	H317: May cause an allergic skin reaction	Acros Organics
H phrase	H317: May cause an allergic skin reaction; H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled	Acros Organics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray	Acros Organics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P304 + P341: IF INHALED: If breathing is difficult, remove to fresh air and keep at rest in a position comfortable for breathing; P302 + P352: IF ON SKIN: Wash with plenty of soap and water	Acros Organics
R phrase	R42/43: May cause sensitisation by inhalation and skin contact.	Acros Organics
Hazard	XN: Harmful	Acros Organics

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
I23O1-2-E	Indoleamine 2,3-dioxygenase 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	9400	0.70	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
I23O1_HUMAN	P14902	Indoleamine 2,3-dioxygenase, Human	1400	0.82	Binding ≤ 10μM

Description	Species
Tryptophan catabolism	Homo sapiens (I23O1_HUMAN)