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ZINC Item

Suppliers, Protomers, & Similar Substances

44824685

Analogs

34428948
34428949

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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)	3.91	10.33	-10.55	0	3	0	44	284.403	5	↓ MOL2 SDF SMILES Flexibase

44824686

Analogs

34428948
34428949

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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)	3.91	10.2	-7.71	0	3	0	44	284.403	5	↓ MOL2 SDF SMILES Flexibase

44827676

Analogs

34428948
34428949
44002445
1591882

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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)	3.91	8.84	-7.97	1	3	0	53	284.403	5	↓ MOL2 SDF SMILES Flexibase

44827677

Analogs

34428948
34428949
44002445
1591882

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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)	3.91	9.07	-7.96	1	3	0	53	284.403	5	↓ MOL2 SDF SMILES Flexibase

44827679

Analogs

34428948
34428949
44002445
1591882

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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)	3.91	9.07	-7.96	1	3	0	53	284.403	5	↓ MOL2 SDF SMILES Flexibase

44827680

Analogs

34428948
34428949
44002445
1591882

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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)	3.91	8.84	-7.97	1	3	0	53	284.403	5	↓ MOL2 SDF SMILES Flexibase

52945862

Analogs

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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	9.33	-11.24	1	3	0	53	284.403	5	↓ MOL2 SDF SMILES Flexibase

52945863

Analogs

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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	9.3	-11.27	1	3	0	53	284.403	5	↓ MOL2 SDF SMILES Flexibase

20899956

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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)	4.09	8.23	-13.44	1	5	0	66	380.554	9	↓ MOL2 SDF SMILES Flexibase

12854521

Analogs

12854526

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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)	2.35	4.41	-8.16	4	5	0	84	337.851	6	↓ MOL2 SDF SMILES Flexibase

12854526

Analogs

12854521

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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)	2.35	4.42	-8.09	4	5	0	84	337.851	6	↓ MOL2 SDF SMILES Flexibase

23020582

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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)	3.66	7.63	-11.61	1	5	0	57	335.444	8	↓ MOL2 SDF SMILES Flexibase

59614340

Analogs

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Popular Name: methyl methyl

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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)	2.66	9.08	-19.19	2	6	0	85	378.444	8	↓ MOL2 SDF SMILES Flexibase

52340755

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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)	3.02	6.7	-42.63	4	3	1	57	289.443	6	↓ MOL2 SDF SMILES Flexibase

52340757

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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)	3.02	6.98	-42.57	4	3	1	57	289.443	6	↓ MOL2 SDF SMILES Flexibase

52340759

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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)	3.02	6.79	-54.9	4	3	1	57	289.443	6	↓ MOL2 SDF SMILES Flexibase

52340761

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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)	3.02	7.09	-55.32	4	3	1	57	289.443	6	↓ MOL2 SDF SMILES Flexibase

52342330

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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)	1.42	6.47	-39.5	4	3	1	57	275.416	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.42	6.15	-6	3	3	0	55	274.408	5	↓ MOL2 SDF SMILES Flexibase

52342332

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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)	1.42	6.75	-39.76	4	3	1	57	275.416	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.42	6.43	-6.19	3	3	0	55	274.408	5	↓ MOL2 SDF SMILES Flexibase

52342334

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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)	1.42	6.47	-39.53	4	3	1	57	275.416	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.42	6.1	-6.96	3	3	0	55	274.408	5	↓ MOL2 SDF SMILES Flexibase

52342335

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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)	1.42	6.75	-39.49	4	3	1	57	275.416	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.42	6.39	-7.22	3	3	0	55	274.408	5	↓ MOL2 SDF SMILES Flexibase

52342613

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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)	3.24	7.21	-42.25	4	3	1	57	289.443	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.24	6.89	-6.42	3	3	0	55	288.435	6	↓ MOL2 SDF SMILES Flexibase

52342615

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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)	3.24	7.34	-42.28	4	3	1	57	289.443	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.24	7.01	-6.13	3	3	0	55	288.435	6	↓ MOL2 SDF SMILES Flexibase

52342711

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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)	3.24	7.21	-42.25	4	3	1	57	289.443	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.24	6.92	-5.79	3	3	0	55	288.435	6	↓ MOL2 SDF SMILES Flexibase

52342713

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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)	3.24	7.34	-42.27	4	3	1	57	289.443	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.24	7.04	-5.41	3	3	0	55	288.435	6	↓ MOL2 SDF SMILES Flexibase

52342788

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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)	1.96	7.36	-39.72	4	3	1	57	289.443	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.96	6.98	-6.28	3	3	0	55	288.435	6	↓ MOL2 SDF SMILES Flexibase

52342790

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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)	1.96	7.48	-39.8	4	3	1	57	289.443	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.96	7.11	-6.05	3	3	0	55	288.435	6	↓ MOL2 SDF SMILES Flexibase

52342792

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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)	1.96	7.36	-39.81	4	3	1	57	289.443	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.96	7.02	-5.58	3	3	0	55	288.435	6	↓ MOL2 SDF SMILES Flexibase

52342794

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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)	1.96	7.48	-39.74	4	3	1	57	289.443	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.96	7.15	-5.23	3	3	0	55	288.435	6	↓ MOL2 SDF SMILES Flexibase

52343137

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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)	4.00	9.12	-7.98	1	3	0	53	284.403	5	↓ MOL2 SDF SMILES Flexibase

52343139

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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)	4.00	9.39	-7.97	1	3	0	53	284.403	5	↓ MOL2 SDF SMILES Flexibase

52343142

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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)	4.00	9.13	-7.83	1	3	0	53	284.403	5	↓ MOL2 SDF SMILES Flexibase

52343143

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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)	4.00	9.4	-8.12	1	3	0	53	284.403	5	↓ MOL2 SDF SMILES Flexibase

52344593

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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)	3.79	6.96	-6.58	3	3	0	55	274.408	5	↓ MOL2 SDF SMILES Flexibase

52344594

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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)	3.79	6.94	-6.61	3	3	0	55	274.408	5	↓ MOL2 SDF SMILES Flexibase

52344595

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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)	3.41	6.87	-7.24	3	3	0	55	274.408	5	↓ MOL2 SDF SMILES Flexibase

52344596

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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)	3.41	7.15	-7.51	3	3	0	55	274.408	5	↓ MOL2 SDF SMILES Flexibase

52344597

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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)	4.33	7.84	-6.22	3	3	0	55	288.435	6	↓ MOL2 SDF SMILES Flexibase

52344598

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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)	4.33	7.85	-6.16	3	3	0	55	288.435	6	↓ MOL2 SDF SMILES Flexibase

52344599

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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)	3.95	7.75	-6.87	3	3	0	55	288.435	6	↓ MOL2 SDF SMILES Flexibase

52344600

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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)	3.95	7.88	-6.41	3	3	0	55	288.435	6	↓ MOL2 SDF SMILES Flexibase

37818857

Analogs

37259879
37259878
36169730

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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	7.55	-41.23	3	3	1	48	275.416	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.62	7.26	-7.24	2	3	0	46	274.408	5	↓ MOL2 SDF SMILES Flexibase

37818858

Analogs

37259879
37259878
36169730

Draw Identity 99% 90% 80% 70%

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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	7.54	-40.64	3	3	1	48	275.416	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.62	7.2	-7.19	2	3	0	46	274.408	5	↓ MOL2 SDF SMILES Flexibase

37818863

Analogs

37259852
37259850
36169738
36169739
36169740

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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)	1.34	7.84	-38.69	3	3	1	48	275.416	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.34	7.51	-6.19	2	3	0	46	274.408	5	↓ MOL2 SDF SMILES Flexibase

37818864

Analogs

37259852
37259850
36169738
36169739
36169740

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

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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)	1.34	7.85	-39.3	3	3	1	48	275.416	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.34	7.49	-7.81	2	3	0	46	274.408	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 9248
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 = 9248 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=9248&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": "9248"        

    });
</script>

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