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69990241

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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)	4.62	9.21	-33.36	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.62	7.98	-4.5	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

69990243

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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)	4.62	9.67	-30.63	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.62	8.54	-4.72	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

69990245

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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)	4.43	9.09	-33.79	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.43	7.86	-4.94	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

69990246

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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)	4.43	9.55	-30.32	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.43	8.42	-4.77	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

69998497

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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)	4.05	7.98	-6.67	1	3	0	38	292.448	7	↓ MOL2 SDF SMILES Flexibase

69998498

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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)	4.05	7.8	-6.97	1	3	0	38	292.448	7	↓ MOL2 SDF SMILES Flexibase

69998636

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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)	4.22	7.32	-6.21	1	3	0	38	292.448	6	↓ MOL2 SDF SMILES Flexibase

69998638

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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)	4.22	7.02	-6.01	1	3	0	38	292.448	6	↓ MOL2 SDF SMILES Flexibase

70000183

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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)	4.19	9.08	-29.79	2	3	1	34	292.472	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.19	8.01	-5.15	1	3	0	30	291.464	8	↓ MOL2 SDF SMILES Flexibase

70000184

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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)	4.19	9.54	-26.95	2	3	1	34	292.472	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.19	8.3	-5.06	1	3	0	30	291.464	8	↓ MOL2 SDF SMILES Flexibase

70000190

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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)	4.19	9.11	-30.64	2	3	1	34	292.472	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.19	7.87	-5.15	1	3	0	30	291.464	8	↓ MOL2 SDF SMILES Flexibase

70000192

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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)	4.19	9.56	-27.46	2	3	1	34	292.472	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.19	8.44	-5.14	1	3	0	30	291.464	8	↓ MOL2 SDF SMILES Flexibase

70000193

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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)	4.19	9.11	-30.35	2	3	1	34	292.472	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.19	7.87	-5.14	1	3	0	30	291.464	8	↓ MOL2 SDF SMILES Flexibase

70000194

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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)	4.19	9.56	-27.37	2	3	1	34	292.472	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.19	8.44	-5.1	1	3	0	30	291.464	8	↓ MOL2 SDF SMILES Flexibase

70000195

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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)	4.69	9.83	-30.26	2	3	1	34	306.499	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.69	8.82	-4.73	1	3	0	30	305.491	9	↓ MOL2 SDF SMILES Flexibase

70000197

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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)	4.69	10.29	-27.16	2	3	1	34	306.499	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.69	9.39	-4.51	1	3	0	30	305.491	9	↓ MOL2 SDF SMILES Flexibase

70001880

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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)	4.75	8.96	-34.47	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.75	8.09	-4.29	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

70001883

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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)	4.75	9.42	-31.46	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.75	8.37	-4.43	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

70001889

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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)	4.62	9.09	-32.85	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.62	8.04	-4.55	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

70001891

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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)	4.62	9.07	-33.06	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.62	8.02	-4.54	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

70001892

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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)	4.62	9.55	-30.19	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.62	8.34	-4.65	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

70001893

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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)	4.62	9.53	-30.35	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.62	8.32	-4.69	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

70001895

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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)	5.12	9.8	-32.74	2	3	1	34	371.368	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.12	8.76	-4.32	1	3	0	30	370.36	8	↓ MOL2 SDF SMILES Flexibase

70001897

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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)	5.12	10.26	-30.08	2	3	1	34	371.368	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.12	9.05	-4.44	1	3	0	30	370.36	8	↓ MOL2 SDF SMILES Flexibase

70001899

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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)	5.12	9.84	-33.48	2	3	1	34	371.368	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.12	8.6	-4.39	1	3	0	30	370.36	8	↓ MOL2 SDF SMILES Flexibase

70001900

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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)	5.12	10.29	-30.61	2	3	1	34	371.368	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.12	9.17	-4.65	1	3	0	30	370.36	8	↓ MOL2 SDF SMILES Flexibase

70001902

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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)	5.12	9.84	-33.25	2	3	1	34	371.368	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.12	8.6	-4.34	1	3	0	30	370.36	8	↓ MOL2 SDF SMILES Flexibase

70001906

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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)	5.12	10.29	-30.49	2	3	1	34	371.368	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.12	9.17	-4.59	1	3	0	30	370.36	8	↓ MOL2 SDF SMILES Flexibase

70001916

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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)	4.55	8.84	-35.04	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.55	7.97	-4.94	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

70001917

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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)	4.55	9.53	-31.25	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.55	8.25	-4.26	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

70001924

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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)	4.43	8.97	-33.3	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.43	7.93	-5.25	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

70001925

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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)	4.43	8.95	-33.54	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.43	7.91	-5.27	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

70001927

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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)	4.43	9.43	-29.92	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.43	8.22	-4.46	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

70001929

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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)	4.43	9.41	-30	2	3	1	34	357.341	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.43	8.2	-4.48	1	3	0	30	356.333	7	↓ MOL2 SDF SMILES Flexibase

70001931

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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)	4.93	9.69	-33.21	2	3	1	34	371.368	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.93	8.64	-5.02	1	3	0	30	370.36	8	↓ MOL2 SDF SMILES Flexibase

70001933

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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)	4.93	10.15	-29.74	2	3	1	34	371.368	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.93	8.93	-4.28	1	3	0	30	370.36	8	↓ MOL2 SDF SMILES Flexibase

70001936

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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)	4.93	9.72	-33.89	2	3	1	34	371.368	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.93	8.49	-4.86	1	3	0	30	370.36	8	↓ MOL2 SDF SMILES Flexibase

70001937

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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)	4.93	10.17	-30.36	2	3	1	34	371.368	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.93	9.05	-4.7	1	3	0	30	370.36	8	↓ MOL2 SDF SMILES Flexibase

70001940

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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)	4.93	9.72	-33.69	2	3	1	34	371.368	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.93	8.49	-4.76	1	3	0	30	370.36	8	↓ MOL2 SDF SMILES Flexibase

70001944

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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)	4.93	10.17	-30.23	2	3	1	34	371.368	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.93	9.05	-4.58	1	3	0	30	370.36	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 513528
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 513528 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=513528&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "513528"        

    });
</script>

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