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62798342

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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)	1.93	6.62	-45.52	3	2	1	37	325.251	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.93	6.32	-4.33	2	2	0	35	324.243	3	↓ MOL2 SDF SMILES Flexibase

62798343

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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)	1.93	6.62	-47.32	3	2	1	37	325.251	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.93	6.33	-5.3	2	2	0	35	324.243	3	↓ MOL2 SDF SMILES Flexibase

62798382

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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)	1.93	6.57	-45.44	3	2	1	37	325.251	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.93	6.27	-4.81	2	2	0	35	324.243	3	↓ MOL2 SDF SMILES Flexibase

62798383

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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)	1.93	6.57	-47.55	3	2	1	37	325.251	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.93	6.28	-5.74	2	2	0	35	324.243	3	↓ MOL2 SDF SMILES Flexibase

62798610

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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)	1.19	6.01	-45.98	3	2	1	37	246.355	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.19	5.7	-4.81	2	2	0	35	245.347	3	↓ MOL2 SDF SMILES Flexibase

62798611

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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)	1.19	6.01	-47.54	3	2	1	37	246.355	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.19	5.72	-5.89	2	2	0	35	245.347	3	↓ MOL2 SDF SMILES Flexibase

62798612

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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)	2.12	6.74	-46	3	2	1	37	325.251	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.12	6.43	-4.24	2	2	0	35	324.243	3	↓ MOL2 SDF SMILES Flexibase

62798613

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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)	2.12	6.74	-47.34	3	2	1	37	325.251	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.12	6.45	-5.18	2	2	0	35	324.243	3	↓ MOL2 SDF SMILES Flexibase

62798614

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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)	1.99	6.64	-45.92	3	2	1	37	280.8	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.99	6.33	-4.19	2	2	0	35	279.792	3	↓ MOL2 SDF SMILES Flexibase

62798615

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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)	1.99	6.64	-47.28	3	2	1	37	280.8	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.99	6.34	-5.17	2	2	0	35	279.792	3	↓ MOL2 SDF SMILES Flexibase

62798638

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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)	1.99	7.64	-45.96	3	2	1	37	274.409	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.99	7.33	-4.81	2	2	0	35	273.401	4	↓ MOL2 SDF SMILES Flexibase

62798639

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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)	1.99	7.63	-47.51	3	2	1	37	274.409	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.99	7.33	-5.87	2	2	0	35	273.401	4	↓ MOL2 SDF SMILES Flexibase

62798970

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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)	4.18	8.28	-40.54	2	2	1	26	339.278	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.18	7.03	-4.09	1	2	0	21	338.27	4	↓ MOL2 SDF SMILES Flexibase

62798971

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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)	4.18	8.43	-41.4	2	2	1	26	339.278	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.18	6.96	-4.94	1	2	0	21	338.27	4	↓ MOL2 SDF SMILES Flexibase

62799006

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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)	4.18	8.23	-40.69	2	2	1	26	339.278	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.18	6.99	-4.55	1	2	0	21	338.27	4	↓ MOL2 SDF SMILES Flexibase

62799007

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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)	4.18	8.38	-41.45	2	2	1	26	339.278	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.18	6.91	-5.52	1	2	0	21	338.27	4	↓ MOL2 SDF SMILES Flexibase

62799218

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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)	3.44	7.67	-40.44	2	2	1	26	260.382	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.44	6.42	-4.58	1	2	0	21	259.374	4	↓ MOL2 SDF SMILES Flexibase

62799219

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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)	3.44	7.82	-41.75	2	2	1	26	260.382	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.44	6.35	-5.44	1	2	0	21	259.374	4	↓ MOL2 SDF SMILES Flexibase

62799220

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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)	4.38	8.39	-40.42	2	2	1	26	339.278	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.38	7.15	-3.98	1	2	0	21	338.27	4	↓ MOL2 SDF SMILES Flexibase

62799221

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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)	4.38	8.55	-41.71	2	2	1	26	339.278	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.38	7.08	-4.75	1	2	0	21	338.27	4	↓ MOL2 SDF SMILES Flexibase

62799222

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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)	4.25	8.29	-40.33	2	2	1	26	294.827	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.25	7.05	-3.96	1	2	0	21	293.819	4	↓ MOL2 SDF SMILES Flexibase

62799223

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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)	4.25	8.44	-41.59	2	2	1	26	294.827	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.25	6.98	-4.73	1	2	0	21	293.819	4	↓ MOL2 SDF SMILES Flexibase

62799240

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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)	4.24	9.3	-40.78	2	2	1	26	288.436	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.24	8.04	-4.51	1	2	0	21	287.428	5	↓ MOL2 SDF SMILES Flexibase

62799241

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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)	4.24	9.44	-41.58	2	2	1	26	288.436	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.24	7.95	-5.46	1	2	0	21	287.428	5	↓ MOL2 SDF SMILES Flexibase

62799476

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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)	4.56	9.11	-39.14	2	2	1	26	353.305	5	↓ MOL2 SDF SMILES Flexibase

62799477

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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)	4.56	9.29	-39.95	2	2	1	26	353.305	5	↓ MOL2 SDF SMILES Flexibase

62799502

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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)	4.56	9.07	-39.21	2	2	1	26	353.305	5	↓ MOL2 SDF SMILES Flexibase

62799503

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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)	4.56	9.24	-40.02	2	2	1	26	353.305	5	↓ MOL2 SDF SMILES Flexibase

62799670

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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)	3.82	8.5	-39.03	2	2	1	26	274.409	5	↓ MOL2 SDF SMILES Flexibase

62799671

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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)	3.82	8.68	-40.27	2	2	1	26	274.409	5	↓ MOL2 SDF SMILES Flexibase

62799672

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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)	4.75	9.23	-39	2	2	1	26	353.305	5	↓ MOL2 SDF SMILES Flexibase

62799673

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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)	4.75	9.41	-40.3	2	2	1	26	353.305	5	↓ MOL2 SDF SMILES Flexibase

62799674

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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	9.13	-38.89	2	2	1	26	308.854	5	↓ MOL2 SDF SMILES Flexibase

62799675

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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	9.3	-40.2	2	2	1	26	308.854	5	↓ MOL2 SDF SMILES Flexibase

62799686

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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)	4.62	10.12	-39.33	2	2	1	26	302.463	6	↓ MOL2 SDF SMILES Flexibase

62799687

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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	10.28	-40.11	2	2	1	26	302.463	6	↓ MOL2 SDF SMILES Flexibase

62800000

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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)	4.32	9.27	-39.66	2	2	1	26	288.436	6	↓ MOL2 SDF SMILES Flexibase

62800001

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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)	4.32	9.44	-41.08	2	2	1	26	288.436	6	↓ MOL2 SDF SMILES Flexibase

62800684

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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)	3.63	6.01	-6.49	1	2	0	29	325.227	3	↓ MOL2 SDF SMILES Flexibase

62800685

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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)	3.63	6.01	-6.31	1	2	0	29	325.227	3	↓ MOL2 SDF SMILES Flexibase

62800712

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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)	3.63	5.96	-7	1	2	0	29	325.227	3	↓ MOL2 SDF SMILES Flexibase

62800713

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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)	3.63	5.96	-6.74	1	2	0	29	325.227	3	↓ MOL2 SDF SMILES Flexibase

62800886

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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)	2.89	5.4	-6.93	1	2	0	29	246.331	3	↓ MOL2 SDF SMILES Flexibase

62800887

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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)	2.89	5.4	-6.91	1	2	0	29	246.331	3	↓ MOL2 SDF SMILES Flexibase

62800888

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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)	3.82	6.13	-6.28	1	2	0	29	325.227	3	↓ MOL2 SDF SMILES Flexibase

62800889

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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)	3.82	6.13	-6.3	1	2	0	29	325.227	3	↓ MOL2 SDF SMILES Flexibase

62800890

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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)	3.69	6.02	-6.18	1	2	0	29	280.776	3	↓ MOL2 SDF SMILES Flexibase

62800891

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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)	3.69	6.03	-6.25	1	2	0	29	280.776	3	↓ MOL2 SDF SMILES Flexibase

62800928

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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)	3.69	7.02	-6.88	1	2	0	29	274.385	4	↓ MOL2 SDF SMILES Flexibase

62800929

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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)	3.69	7.02	-6.83	1	2	0	29	274.385	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 273335
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 = 273335 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=273335&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": "273335"        

    });
</script>

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