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)	-2.01	0.6	-63.41	6	10	0	182	444.44	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.01	-0.44	-133.74	4	10	-2	184	442.424	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.27	-1.21	-29.32	5	10	0	181	443.432	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.27	1.71	-94.14	5	10	0	185	443.432	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.27	-0.22	-106.24	4	10	0	184	442.424	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.27	1.73	-98.13	5	10	-1	185	443.432	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.27	1.02	-59.85	6	10	0	182	444.44	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.27	0.73	-72.61	6	10	0	182	444.44	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-2.01	-1.43	-67.78	5	10	-1	181	443.432	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-1.27	-1.79	-51.71	7	10	0	180	445.448	2	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Purity	USP25	APIChem