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61700375

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Physical Representations

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)	3.01	7.38	-44.61	2	3	1	34	282.82	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.01	6.2	-5.48	1	3	0	30	281.812	4	↓ MOL2 SDF SMILES Flexibase

61700376

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Physical Representations

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)	3.01	7.38	-45.23	2	3	1	34	282.82	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.01	6.2	-6.12	1	3	0	30	281.812	4	↓ MOL2 SDF SMILES Flexibase

61700377

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Physical Representations

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)	3.38	8.23	-43.27	2	3	1	34	296.847	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.38	7.13	-6.15	1	3	0	30	295.839	5	↓ MOL2 SDF SMILES Flexibase

61700378

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Physical Representations

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)	3.38	8.21	-43.87	2	3	1	34	296.847	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.38	7.11	-5.46	1	3	0	30	295.839	5	↓ MOL2 SDF SMILES Flexibase

61700379

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Physical Representations

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)	3.88	8.98	-44.12	2	3	1	34	310.874	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.88	7.89	-6.05	1	3	0	30	309.866	6	↓ MOL2 SDF SMILES Flexibase

61700380

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Physical Representations

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)	3.88	8.98	-44.74	2	3	1	34	310.874	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.88	7.87	-5.29	1	3	0	30	309.866	6	↓ MOL2 SDF SMILES Flexibase

61700381

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Physical Representations

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)	0.75	5.61	-50.2	3	3	1	45	268.793	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.75	5.28	-6.64	2	3	0	44	267.785	3	↓ MOL2 SDF SMILES Flexibase

61700382

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Physical Representations

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)	0.75	5.6	-50.92	3	3	1	45	268.793	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.75	5.31	-6.03	2	3	0	44	267.785	3	↓ MOL2 SDF SMILES Flexibase

61700383

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Physical Representations

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)	3.14	7.48	-44.6	2	3	1	34	327.271	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.14	6.3	-5.45	1	3	0	30	326.263	4	↓ MOL2 SDF SMILES Flexibase

61700384

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Physical Representations

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)	3.14	7.48	-45.29	2	3	1	34	327.271	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.14	6.3	-6.02	1	3	0	30	326.263	4	↓ MOL2 SDF SMILES Flexibase

61700385

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Physical Representations

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)	3.51	8.32	-43.23	2	3	1	34	341.298	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.51	7.23	-6.07	1	3	0	30	340.29	5	↓ MOL2 SDF SMILES Flexibase

61700386

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Physical Representations

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)	3.51	8.31	-43.86	2	3	1	34	341.298	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.51	7.21	-5.35	1	3	0	30	340.29	5	↓ MOL2 SDF SMILES Flexibase

61700387

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Physical Representations

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)	4.01	9.08	-44.07	2	3	1	34	355.325	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.01	7.98	-5.96	1	3	0	30	354.317	6	↓ MOL2 SDF SMILES Flexibase

61700388

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Physical Representations

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)	4.01	9.08	-44.7	2	3	1	34	355.325	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.01	7.96	-5.26	1	3	0	30	354.317	6	↓ MOL2 SDF SMILES Flexibase

61700389

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Physical Representations

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)	0.88	5.71	-50.19	3	3	1	45	313.244	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.88	5.38	-6.55	2	3	0	44	312.236	3	↓ MOL2 SDF SMILES Flexibase

61700390

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Physical Representations

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)	0.88	5.7	-50.91	3	3	1	45	313.244	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.88	5.4	-5.97	2	3	0	44	312.236	3	↓ MOL2 SDF SMILES Flexibase

61702115

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Physical Representations

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)	2.14	5.1	-7.37	2	3	0	44	219.313	2	↓ MOL2 SDF SMILES Flexibase

52841909

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Physical Representations

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)	1.65	5.06	-9.3	2	6	0	90	250.283	3	↓ MOL2 SDF SMILES Flexibase

52858810

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Physical Representations

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)	2.07	4.85	-49.11	3	3	1	45	254.766	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.07	4.42	-5.95	2	3	0	44	253.758	3	↓ MOL2 SDF SMILES Flexibase

52859959

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Physical Representations

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)	2.64	7.18	-7.62	0	3	0	42	249.726	2	↓ MOL2 SDF SMILES Flexibase

52860461

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Physical Representations

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)	1.27	4.34	-35.48	4	4	1	69	267.765	3	↓ MOL2 SDF SMILES Flexibase

52860926

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Physical Representations

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)	1.20	3.99	-8.4	3	5	0	76	282.756	3	↓ MOL2 SDF SMILES Flexibase

52905742

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Physical Representations

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)	2.05	4.72	-42.81	3	3	1	45	254.766	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.05	4.31	-6.31	2	3	0	44	253.758	3	↓ MOL2 SDF SMILES Flexibase

52908150

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Physical Representations

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)	1.25	4.02	-32.08	4	4	1	69	267.765	3	↓ MOL2 SDF SMILES Flexibase

52908170

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Physical Representations

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)	1.18	2.93	-9.59	3	5	0	76	282.756	3	↓ MOL2 SDF SMILES Flexibase

52909242

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Physical Representations

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)	2.62	7.08	-9.45	0	3	0	42	249.726	2	↓ MOL2 SDF SMILES Flexibase

14246129

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Physical Representations

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)	3.10	10.72	-9.13	0	4	0	33	288.42	5	↓ MOL2 SDF SMILES Flexibase

62787269

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Physical Representations

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)	2.07	4.85	-51.33	3	3	1	45	254.766	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.07	4.45	-6.58	2	3	0	44	253.758	3	↓ MOL2 SDF SMILES Flexibase

62787843

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Physical Representations

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)	2.46	7.34	-45.4	0	4	-1	58	267.717	3	↓ MOL2 SDF SMILES Flexibase

62789261

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Physical Representations

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)	1.27	4.36	-37.56	4	4	1	69	267.765	3	↓ MOL2 SDF SMILES Flexibase

62789765

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Physical Representations

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)	1.20	3.99	-9.67	3	5	0	76	282.756	3	↓ MOL2 SDF SMILES Flexibase

62790316

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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)	2.64	7.19	-8.19	0	3	0	42	249.726	2	↓ MOL2 SDF SMILES Flexibase

62793408

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Physical Representations

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)	2.07	4.88	-51.22	3	3	1	45	254.766	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.07	4.47	-6.53	2	3	0	44	253.758	3	↓ MOL2 SDF SMILES Flexibase

62794209

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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)	2.64	7.22	-7.81	0	3	0	42	249.726	2	↓ MOL2 SDF SMILES Flexibase

62794894

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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)	1.27	4.7	-37.8	4	4	1	69	267.765	3	↓ MOL2 SDF SMILES Flexibase

62795019

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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)	1.20	3.72	-8.91	3	5	0	76	282.756	3	↓ MOL2 SDF SMILES Flexibase

62796542

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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)	2.80	7.37	-48.25	0	4	-1	58	267.717	3	↓ MOL2 SDF SMILES Flexibase

63006648

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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)	2.38	7.07	-43.8	0	4	-1	58	269.252	3	↓ MOL2 SDF SMILES Flexibase

69516239

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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)	0.86	4.68	-53.49	2	5	-1	84	248.287	3	↓ MOL2 SDF SMILES Flexibase

55568699

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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)	1.77	5.28	-12.82	2	5	0	67	291.376	5	↓ MOL2 SDF SMILES Flexibase

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