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)	0.40	5.18	-45.05	3	10	1	110	477.582	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.40	7.04	-92.78	4	10	2	112	478.59	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.40	2.37	-88.18	2	10	2	105	478.59	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.40	2.38	-88.28	2	10	2	105	478.59	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.40	0.3	-86.87	2	10	2	105	478.59	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.40	3.01	-18.07	2	10	0	109	476.574	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.40	-0.69	-47.47	1	10	1	104	477.582	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.40	3.24	-91.99	2	10	2	105	478.59	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.40	1.38	-52	1	10	1	104	477.582	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-1.40	6.29	-250.65	4	10	4	108	480.606	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-1.40	5.19	-276.18	4	10	4	108	480.606	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-1.40	5.28	-173.82	3	10	3	106	479.598	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-1.40	6.27	-250.52	4	10	4	108	480.606	6	↓ MOL2 SDF SMILES Flexibase

ZINC 12

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