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62798248

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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	5.56	-47.38	3	3	1	50	275.397	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.75	5.25	-5.23	2	3	0	48	274.389	4	↓ MOL2 SDF SMILES Flexibase

62798249

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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	5.55	-48.77	3	3	1	50	275.397	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.75	5.25	-6.23	2	3	0	48	274.389	4	↓ MOL2 SDF SMILES Flexibase

62798268

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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	6.33	-47.16	3	3	1	50	289.424	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.25	6.01	-4.96	2	3	0	48	288.416	5	↓ MOL2 SDF SMILES Flexibase

62798269

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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	6.32	-48.56	3	3	1	50	289.424	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.25	6.01	-5.97	2	3	0	48	288.416	5	↓ MOL2 SDF SMILES Flexibase

62798318

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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)	1.23	6.18	-47.36	3	3	1	50	289.424	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.23	5.86	-5.07	2	3	0	48	288.416	4	↓ MOL2 SDF SMILES Flexibase

62798319

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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)	1.23	6.17	-48.7	3	3	1	50	289.424	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.23	5.86	-6.15	2	3	0	48	288.416	4	↓ MOL2 SDF SMILES Flexibase

62798440

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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)	0.46	4.06	-47.52	3	3	1	50	247.343	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.46	3.75	-5.4	2	3	0	48	246.335	3	↓ MOL2 SDF SMILES Flexibase

62798441

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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)	0.46	4.06	-48.91	3	3	1	50	247.343	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.46	3.76	-6.42	2	3	0	48	246.335	3	↓ MOL2 SDF SMILES Flexibase

62798642

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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)	0.18	4.81	-47.63	3	3	1	50	261.37	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.18	4.49	-5.54	2	3	0	48	260.362	3	↓ MOL2 SDF SMILES Flexibase

62798643

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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)	0.18	4.8	-49.05	3	3	1	50	261.37	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.18	4.49	-6.55	2	3	0	48	260.362	3	↓ MOL2 SDF SMILES Flexibase

62798890

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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)	3.00	7.21	-42.22	2	3	1	39	289.424	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.00	5.96	-4.94	1	3	0	34	288.416	5	↓ MOL2 SDF SMILES Flexibase

62798891

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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)	3.00	7.36	-42.89	2	3	1	39	289.424	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.00	5.87	-6.05	1	3	0	34	288.416	5	↓ MOL2 SDF SMILES Flexibase

62798906

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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)	3.50	7.98	-41.99	2	3	1	39	303.451	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.50	6.73	-4.66	1	3	0	34	302.443	6	↓ MOL2 SDF SMILES Flexibase

62798907

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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)	3.50	8.13	-42.65	2	3	1	39	303.451	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.50	6.64	-5.77	1	3	0	34	302.443	6	↓ MOL2 SDF SMILES Flexibase

62798946

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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)	3.49	7.83	-42.11	2	3	1	39	303.451	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.49	6.57	-4.79	1	3	0	34	302.443	5	↓ MOL2 SDF SMILES Flexibase

62798947

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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)	3.49	7.97	-42.86	2	3	1	39	303.451	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.49	6.49	-5.91	1	3	0	34	302.443	5	↓ MOL2 SDF SMILES Flexibase

62799060

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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)	2.72	5.71	-42.3	2	3	1	39	261.37	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.72	4.47	-5.11	1	3	0	34	260.362	4	↓ MOL2 SDF SMILES Flexibase

62799061

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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)	2.72	5.86	-43.03	2	3	1	39	261.37	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.72	4.39	-6.21	1	3	0	34	260.362	4	↓ MOL2 SDF SMILES Flexibase

62799244

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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)	2.43	6.46	-42.49	2	3	1	39	275.397	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.43	5.2	-5.29	1	3	0	34	274.389	4	↓ MOL2 SDF SMILES Flexibase

62799245

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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)	2.43	6.6	-43.16	2	3	1	39	275.397	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.43	5.12	-6.37	1	3	0	34	274.389	4	↓ MOL2 SDF SMILES Flexibase

62799422

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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	8.03	-40.78	2	3	1	39	303.451	6	↓ MOL2 SDF SMILES Flexibase

62799423

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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	8.2	-41.48	2	3	1	39	303.451	6	↓ MOL2 SDF SMILES Flexibase

62799542

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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)	3.09	6.54	-40.89	2	3	1	39	275.397	5	↓ MOL2 SDF SMILES Flexibase

62799543

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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)	3.09	6.71	-41.68	2	3	1	39	275.397	5	↓ MOL2 SDF SMILES Flexibase

62799690

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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)	2.81	7.29	-40.99	2	3	1	39	289.424	5	↓ MOL2 SDF SMILES Flexibase

62799691

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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)	2.81	7.46	-41.8	2	3	1	39	289.424	5	↓ MOL2 SDF SMILES Flexibase

62799910

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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)	3.59	7.31	-41.61	2	3	1	39	289.424	6	↓ MOL2 SDF SMILES Flexibase

62799911

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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)	3.59	7.48	-42.4	2	3	1	39	289.424	6	↓ MOL2 SDF SMILES Flexibase

62800008

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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)	3.31	8.05	-41.69	2	3	1	39	303.451	6	↓ MOL2 SDF SMILES Flexibase

62800009

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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)	3.31	8.21	-42.55	2	3	1	39	303.451	6	↓ MOL2 SDF SMILES Flexibase

62800422

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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)	1.88	4.18	-7.43	1	3	0	42	261.346	3	↓ MOL2 SDF SMILES Flexibase

62800423

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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)	1.88	4.18	-7.6	1	3	0	42	261.346	3	↓ MOL2 SDF SMILES Flexibase

62800448

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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)	2.16	3.44	-7.33	1	3	0	42	247.319	3	↓ MOL2 SDF SMILES Flexibase

62800449

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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)	2.16	3.44	-7.43	1	3	0	42	247.319	3	↓ MOL2 SDF SMILES Flexibase

62800592

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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)	2.45	4.94	-7.16	1	3	0	42	275.373	4	↓ MOL2 SDF SMILES Flexibase

62800593

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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)	2.45	4.94	-7.24	1	3	0	42	275.373	4	↓ MOL2 SDF SMILES Flexibase

62800608

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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)	2.95	5.7	-6.89	1	3	0	42	289.4	5	↓ MOL2 SDF SMILES Flexibase

62800609

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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)	2.95	5.71	-7.03	1	3	0	42	289.4	5	↓ MOL2 SDF SMILES Flexibase

62800656

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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)	2.93	5.55	-7.03	1	3	0	42	289.4	4	↓ MOL2 SDF SMILES Flexibase

62800657

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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)	2.93	5.55	-7.12	1	3	0	42	289.4	4	↓ MOL2 SDF SMILES Flexibase

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