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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36132974

Analogs

37793793
37793794
37793795
37793796
37830736

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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)	-0.13	7.14	-55.09	0	6	-1	81	293.343	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.13	4.53	-15.87	1	6	0	78	294.351	3	↓ MOL2 SDF SMILES Flexibase

36132975

Analogs

37830736
37830737
37830738
37830739
37831647

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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)	-0.13	6.51	-68.3	0	6	-1	81	293.343	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.13	5.35	-17.51	1	6	0	78	294.351	3	↓ MOL2 SDF SMILES Flexibase

36132977

Analogs

37830736
37830737
37830738
37830739
37831647

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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)	-0.13	7.09	-81.47	0	6	-1	81	293.343	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.13	5.62	-20.39	1	6	0	78	294.351	3	↓ MOL2 SDF SMILES Flexibase

36132978

Analogs

37796590
37796591
37796592
37796593
37830736

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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)	-0.13	7.36	-62.08	0	6	-1	81	293.343	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.13	5.51	-19.45	1	6	0	78	294.351	3	↓ MOL2 SDF SMILES Flexibase

62912939

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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)	1.46	7	-42.84	0	4	-1	60	236.291	2	↓ MOL2 SDF SMILES Flexibase

62912940

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)	1.46	6.88	-54.05	0	4	-1	60	236.291	2	↓ MOL2 SDF SMILES Flexibase

62912941

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)	1.46	6.8	-50.85	0	4	-1	60	236.291	2	↓ MOL2 SDF SMILES Flexibase

62912942

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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)	1.46	7.07	-45.79	0	4	-1	60	236.291	2	↓ MOL2 SDF SMILES Flexibase

62914506

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)	1.79	7.47	-45.88	0	4	-1	60	250.318	3	↓ MOL2 SDF SMILES Flexibase

62914507

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)	1.79	7.38	-53.4	0	4	-1	60	250.318	3	↓ MOL2 SDF SMILES Flexibase

62914508

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)	1.79	7.64	-42.67	0	4	-1	60	250.318	3	↓ MOL2 SDF SMILES Flexibase

62914509

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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)	1.79	7.55	-44.82	0	4	-1	60	250.318	3	↓ MOL2 SDF SMILES Flexibase

62920291

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)	2.35	8.24	-46.22	0	4	-1	60	264.345	4	↓ MOL2 SDF SMILES Flexibase

62920293

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)	2.35	8.13	-53.73	0	4	-1	60	264.345	4	↓ MOL2 SDF SMILES Flexibase

62920295

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)	2.35	8.41	-42.99	0	4	-1	60	264.345	4	↓ MOL2 SDF SMILES Flexibase

62920298

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)	2.35	8.3	-45.06	0	4	-1	60	264.345	4	↓ MOL2 SDF SMILES Flexibase

62965980

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)	0.72	7.41	-61.79	1	5	0	65	266.341	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.72	4.99	-47.68	0	5	-1	64	265.333	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.72	5.45	-40.28	2	5	1	62	267.349	3	↓ MOL2 SDF SMILES Flexibase

62965981

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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)	0.72	7.4	-63.2	1	5	0	65	266.341	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.72	5	-48.96	0	5	-1	64	265.333	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.72	5.44	-40.58	2	5	1	62	267.349	3	↓ MOL2 SDF SMILES Flexibase

62965982

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)	0.72	8.16	-70.26	1	5	0	65	266.341	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.72	5.77	-56.68	0	5	-1	64	265.333	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.72	5.7	-47.64	2	5	1	62	267.349	3	↓ MOL2 SDF SMILES Flexibase

62965983

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)	0.72	8.16	-69.12	1	5	0	65	266.341	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.72	5.75	-55.78	0	5	-1	64	265.333	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.72	5.67	-42.36	2	5	1	62	267.349	3	↓ MOL2 SDF SMILES Flexibase

62976203

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)	1.47	8.44	-59.09	1	5	0	65	294.395	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.47	6.42	-48.07	0	5	-1	64	293.387	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.47	6.62	-37.73	2	5	1	62	295.403	5	↓ MOL2 SDF SMILES Flexibase

62976204

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)	1.47	8.42	-59.71	1	5	0	65	294.395	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.47	6.27	-48.71	0	5	-1	64	293.387	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.47	6.61	-37.78	2	5	1	62	295.403	5	↓ MOL2 SDF SMILES Flexibase

62976205

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)	1.47	9.22	-67.07	1	5	0	65	294.395	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.47	7.19	-56.18	0	5	-1	64	293.387	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.47	6.79	-44.84	2	5	1	62	295.403	5	↓ MOL2 SDF SMILES Flexibase

62976206

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)	1.47	9.2	-67.08	1	5	0	65	294.395	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.47	6.97	-55.75	0	5	-1	64	293.387	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.47	7.08	-40.73	2	5	1	62	295.403	5	↓ MOL2 SDF SMILES Flexibase

37828291

Analogs

35177548
35177545
35177546
35177547
36323170

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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)	0.82	7.63	-50.2	0	6	-1	87	280.3	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.82	5.72	-13.04	1	6	0	84	281.308	4	↓ MOL2 SDF SMILES Flexibase

37828292

Analogs

35177548
35177545
35177546
35177547
36323170

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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)	0.82	7.64	-60.65	0	6	-1	87	280.3	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.82	5.73	-14.59	1	6	0	84	281.308	4	↓ MOL2 SDF SMILES Flexibase

37828293

Analogs

35177548
35177545
35177546
35177547
36323170

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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)	0.82	7.71	-73.08	0	6	-1	87	280.3	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.82	6.16	-16.37	1	6	0	84	281.308	4	↓ MOL2 SDF SMILES Flexibase

37828294

Analogs

35177548
35177545
35177546
35177547
36323170

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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)	0.82	8.27	-59.11	0	6	-1	87	280.3	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.82	6.3	-16.55	1	6	0	84	281.308	4	↓ MOL2 SDF SMILES Flexibase

42144462

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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)	1.37	7.16	-53.51	0	4	-1	60	236.291	3	↓ MOL2 SDF SMILES Flexibase

42144463

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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)	1.37	8.33	-65.67	0	4	-1	60	236.291	3	↓ MOL2 SDF SMILES Flexibase

42144464

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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)	1.37	8.4	-65.39	0	4	-1	60	236.291	3	↓ MOL2 SDF SMILES Flexibase

42144465

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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)	1.37	7.14	-53.52	0	4	-1	60	236.291	3	↓ MOL2 SDF SMILES Flexibase

42433762

Analogs

42433763
42433764
42433765

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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)	1.22	3.39	-7.49	1	3	0	41	209.289	2	↓ MOL2 SDF SMILES Flexibase

42433763

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42433764
42433765
42433762

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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)	1.22	3.52	-7.58	1	3	0	41	209.289	2	↓ MOL2 SDF SMILES Flexibase

42433764

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42433765
42433762
42433763

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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)	1.22	3.56	-7.56	1	3	0	41	209.289	2	↓ MOL2 SDF SMILES Flexibase

42433765

Analogs

42433762
42433763
42433764

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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)	1.22	3.38	-7.51	1	3	0	41	209.289	2	↓ MOL2 SDF SMILES Flexibase

42434228

Analogs

42434229
42434230
42434231

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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)	0.33	3.77	-51.28	1	5	-1	81	252.29	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.33	1.86	-9.35	2	5	0	78	253.298	3	↓ MOL2 SDF SMILES Flexibase

42434229

Analogs

42434230
42434231
42434228

Draw Identity 99% 90% 80% 70%

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Activity (Go SEA)

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)	0.33	3.83	-48.8	1	5	-1	81	252.29	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.33	1.92	-8.79	2	5	0	78	253.298	3	↓ MOL2 SDF SMILES Flexibase

42434230

Analogs

42434231
42434228
42434229

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.33	4.54	-55.74	1	5	-1	81	252.29	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.33	2.68	-11.61	2	5	0	78	253.298	3	↓ MOL2 SDF SMILES Flexibase

42434231

Analogs

42434228
42434229
42434230

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.33	4.59	-56.09	1	5	-1	81	252.29	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.33	2.07	-10.92	2	5	0	78	253.298	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 64677
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 = 64677 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=64677&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": "64677"        

    });
</script>

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