ZINC 12

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)	0.86	3.83	-41.07	3	4	1	55	232.307	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.86	3.38	-9.85	2	4	0	53	231.299	3	↓ MOL2 SDF SMILES Flexibase

52574164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2R,5R)-5-(indazol-1-ylmethyl)t…

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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)	0.86	3.87	-42.4	3	4	1	55	232.307	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.86	3.41	-8.53	2	4	0	53	231.299	3	↓ MOL2 SDF SMILES Flexibase

52574165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2S,5S)-5-(indazol-1-ylmethyl)t…

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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)	0.86	3.83	-41.64	3	4	1	55	232.307	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.86	3.45	-8.56	2	4	0	53	231.299	3	↓ MOL2 SDF SMILES Flexibase

52574166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2S,5R)-5-(indazol-1-ylmethyl)t…

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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)	0.86	3.76	-44.43	3	4	1	55	232.307	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.86	3.37	-7.32	2	4	0	53	231.299	3	↓ MOL2 SDF SMILES Flexibase

52574204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,5R)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2S,5R)-5-(indazol-1-ylmethyl…

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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)	1.84	5.66	-37.33	2	4	1	44	246.334	4	↓ MOL2 SDF SMILES Flexibase

52574205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,5R)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2R,5R)-5-(indazol-1-ylmethyl…

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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)	1.84	5.75	-36.69	2	4	1	44	246.334	4	↓ MOL2 SDF SMILES Flexibase

52574206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,5S)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2S,5S)-5-(indazol-1-ylmethyl…

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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)	1.84	5.73	-38.47	2	4	1	44	246.334	4	↓ MOL2 SDF SMILES Flexibase

52574207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,5S)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2R,5S)-5-(indazol-1-ylmethyl…

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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)	1.84	5.69	-39.7	2	4	1	44	246.334	4	↓ MOL2 SDF SMILES Flexibase

52574208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5R)-5-(indazol-1-ylmethy…

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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)	1.87	6.52	-36.56	2	4	1	44	260.361	5	↓ MOL2 SDF SMILES Flexibase

52574209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5R)-5-(indazol-1-ylmethy…

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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)	1.87	6.6	-36.03	2	4	1	44	260.361	5	↓ MOL2 SDF SMILES Flexibase

52574210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5S)-5-(indazol-1-ylmethy…

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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)	1.87	6.57	-37.66	2	4	1	44	260.361	5	↓ MOL2 SDF SMILES Flexibase

52574211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5S)-5-(indazol-1-ylmethy…

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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)	1.87	6.54	-38.95	2	4	1	44	260.361	5	↓ MOL2 SDF SMILES Flexibase

52574212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5R)-5-(indazol-1-ylmethy…

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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)	2.37	7.28	-37.29	2	4	1	44	274.388	6	↓ MOL2 SDF SMILES Flexibase

52574213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5R)-5-(indazol-1-ylmethy…

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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)	2.37	7.35	-36.75	2	4	1	44	274.388	6	↓ MOL2 SDF SMILES Flexibase

52574214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5S)-5-(indazol-1-ylmethy…

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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)	2.37	7.33	-38.45	2	4	1	44	274.388	6	↓ MOL2 SDF SMILES Flexibase

52574215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5S)-5-(indazol-1-ylmethy…

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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)	2.37	7.29	-39.63	2	4	1	44	274.388	6	↓ MOL2 SDF SMILES Flexibase

52574216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2S,5R)-5-(indazol-1-ylmethy…

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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)	2.51	7.05	-34.98	2	4	1	44	274.388	5	↓ MOL2 SDF SMILES Flexibase

52574217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5R)-5-(indazol-1-ylmethy…

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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)	2.51	7.13	-35.12	2	4	1	44	274.388	5	↓ MOL2 SDF SMILES Flexibase

52574218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2S,5S)-5-(indazol-1-ylmethy…

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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)	2.51	7.1	-36.2	2	4	1	44	274.388	5	↓ MOL2 SDF SMILES Flexibase

52574219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5S)-5-(indazol-1-ylmethy…

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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)	2.51	7.07	-37.72	2	4	1	44	274.388	5	↓ MOL2 SDF SMILES Flexibase

52574224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2S,5R)-5-(indazol-1-ylmethy…

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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)	3.03	7.47	-33.95	2	4	1	44	288.415	5	↓ MOL2 SDF SMILES Flexibase

52574225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2R,5R)-5-(indazol-1-ylmethy…

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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)	3.03	7.56	-33.48	2	4	1	44	288.415	5	↓ MOL2 SDF SMILES Flexibase

52574226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2S,5S)-5-(indazol-1-ylmethy…

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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)	3.03	7.53	-35.37	2	4	1	44	288.415	5	↓ MOL2 SDF SMILES Flexibase

52574227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2R,5S)-5-(indazol-1-ylmethy…

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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)	3.03	7.5	-36.12	2	4	1	44	288.415	5	↓ MOL2 SDF SMILES Flexibase

52574228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2S,5R)-5-(indazol-1-ylmethy…

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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)	2.61	7.96	-37.1	2	4	1	44	288.415	6	↓ MOL2 SDF SMILES Flexibase

52574229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2R,5R)-5-(indazol-1-ylmethy…

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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)	2.61	8.05	-36.78	2	4	1	44	288.415	6	↓ MOL2 SDF SMILES Flexibase

52574230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2S,5S)-5-(indazol-1-ylmethy…

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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)	2.61	8	-38.15	2	4	1	44	288.415	6	↓ MOL2 SDF SMILES Flexibase

52574231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-(indazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2R,5S)-5-(indazol-1-ylmethy…

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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)	2.61	7.98	-39.57	2	4	1	44	288.415	6	↓ MOL2 SDF SMILES Flexibase

62810416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-tetrahydrofuran-2-yl]methyl]indazole-3-carboxylic 1-[[(2S)-tetrahydrofuran-2-yl]me…

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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	6.25	-65.28	0	5	-1	67	245.258	3	↓ MOL2 SDF SMILES Flexibase

62810417

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R)-tetrahydrofuran-2-yl]methyl]indazole-3-carboxylic 1-[[(2R)-tetrahydrofuran-2-yl]me…

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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	6.24	-59.92	0	5	-1	67	245.258	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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