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)	2.86	0.35	-2.89	0	0	0	0	158.653	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.86	-0.61	-43.75	0	0	-1	0	157.645	1	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
BP [°C]	120 - 121 (p=25 torr)	Acros Organics
Boiling_Point	120-122?/25mm	Alfa-Aesar
Boiling_Point	120-122°/25mm	Alfa-Aesar
BP	121 / 25	TCI
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	97%min	APIChem
H phrase	H312: Harmful in contact with skin	Acros Organics
H phrase	H312: Harmful in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled	Acros Organics
P phrase	P280: Wear protective gloves/protective clothing/eye protection/face protection	Acros Organics
P phrase	P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R	Acros Organics
R phrase	R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.	Acros Organics
S phrase	S36/37: Wear suitable protective clothing and gloves.	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	1200	0.92	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
I23O1_HUMAN	P14902	Indoleamine 2,3-dioxygenase, Human	1200	0.92	Binding ≤ 10μM

Description	Species
Tryptophan catabolism	Homo sapiens (I23O1_HUMAN)