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)	1.60	5.3	-40.58	2	5	1	60	250.351	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.60	3.96	-7.89	1	5	0	56	249.343	5	↓ MOL2 SDF SMILES Flexibase

53613288

Analogs

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Popular Name: (2S)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-ethanamine (2S)-N-methyl-2-(1-methyltetrazo…

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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)	1.60	5.24	-40.74	2	5	1	60	250.351	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.60	3.96	-8.44	1	5	0	56	249.343	5	↓ MOL2 SDF SMILES Flexibase

12402909

Analogs

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Popular Name: 5-Benzylthio-1H-tetrazole 5-Benzylthio-1H-tetrazole

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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)	1.76	4.16	-38.25	0	4	-1	53	191.239	3	↓ MOL2 SDF SMILES Flexibase

53922755

Analogs

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Popular Name: 3-fluoro-4-[(1-isobutyltetrazol-5-yl)sulfanylmethyl]benzonitrile 3-fluoro-4-[(1-isobutyltetrazol-…

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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)	2.80	7.73	-11.68	0	5	0	67	291.355	5	↓ MOL2 SDF SMILES Flexibase

36964775

Analogs

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Popular Name: 2-chloro-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline 2-chloro-5-[(1-methyltetrazol-5-…

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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)	1.92	3.95	-8.85	2	5	0	70	255.734	3	↓ MOL2 SDF SMILES Flexibase

36964972

Analogs

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Popular Name: 5-[(2-chloro-5-nitro-phenyl)methylsulfanyl]-1-methyl-tetrazole 5-[(2-chloro-5-nitro-phenyl)meth…

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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)	2.40	6.65	-11.14	0	7	0	89	285.716	4	↓ MOL2 SDF SMILES Flexibase

13277771

Analogs

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Popular Name: 4-[(1-isobutyltetrazol-5-yl)sulfanylmethyl]benzoic 4-[(1-isobutyltetrazol-5-yl)sulf…

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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)	2.86	7.5	-52.07	0	6	-1	84	291.356	6	↓ MOL2 SDF SMILES Flexibase

13277775

Analogs

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Popular Name: 3-[(1-isobutyltetrazol-5-yl)sulfanylmethyl]benzoic 3-[(1-isobutyltetrazol-5-yl)sulf…

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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)	2.84	7.49	-53.62	0	6	-1	84	291.356	6	↓ MOL2 SDF SMILES Flexibase

37065958

Analogs

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Popular Name: 4-ethoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline 4-ethoxy-3-[(1-methyltetrazol-5-…

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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)	1.27	3.66	-9.97	2	6	0	79	265.342	5	↓ MOL2 SDF SMILES Flexibase

14801927

Analogs

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Popular Name: (2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-2-phenyl-acetamide (2R)-2-(1-tert-butyltetrazol-5-y…

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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)	1.74	3.82	-15.15	2	6	0	87	291.38	5	↓ MOL2 SDF SMILES Flexibase

14801928

Analogs

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Popular Name: (2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-2-phenyl-acetamide (2S)-2-(1-tert-butyltetrazol-5-y…

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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)	1.74	3.91	-16.35	2	6	0	87	291.38	5	↓ MOL2 SDF SMILES Flexibase

69351348

Analogs

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Popular Name: 5-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole 5-[(1S)-1-(2-fluorophenyl)ethyl]…

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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)	3.23	7.39	-9.97	0	4	0	44	306.288	5	↓ MOL2 SDF SMILES Flexibase

69351349

Analogs

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Popular Name: 5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole 5-[(1R)-1-(2-fluorophenyl)ethyl]…

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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)	3.23	7.39	-8.95	0	4	0	44	306.288	5	↓ MOL2 SDF SMILES Flexibase

69485493

Analogs

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Popular Name: 4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile 4-[[1-(2,2,2-trifluoroethyl)tetr…

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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	7.18	-12.8	0	5	0	67	299.281	5	↓ MOL2 SDF SMILES Flexibase

69508325

Analogs

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Popular Name: 5-(p-tolylmethylsulfanyl)-1-(2,2,2-trifluoroethyl)tetrazole 5-(p-tolylmethylsulfanyl)-1-(2,2…

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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)	3.21	7.46	-8.68	0	4	0	44	288.298	5	↓ MOL2 SDF SMILES Flexibase

69563046

Analogs

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Popular Name: N,N-dimethyl-2-[5-[(2-nitrophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine N,N-dimethyl-2-[5-[(2-nitropheny…

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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)	1.77	8.27	-49.44	1	8	1	94	309.375	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.77	5.8	-13.44	0	8	0	93	308.367	7	↓ MOL2 SDF SMILES Flexibase

69568913

Analogs

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Popular Name: (2S)-2-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-acetamide (2S)-2-(4-bromophenyl)-2-(1-meth…

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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)	1.36	2.84	-16.12	2	6	0	87	328.195	4	↓ MOL2 SDF SMILES Flexibase

69568916

Analogs

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Popular Name: (2R)-2-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-acetamide (2R)-2-(4-bromophenyl)-2-(1-meth…

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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)	1.36	2.86	-15.93	2	6	0	87	328.195	4	↓ MOL2 SDF SMILES Flexibase

55019439

Analogs

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Popular Name: (3S)-3-(1-methyltetrazol-5-yl)sulfanyl-3-phenyl-propan-1-amine (3S)-3-(1-methyltetrazol-5-yl)su…

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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)	0.89	4.1	-58.23	3	5	1	71	250.351	5	↓ MOL2 SDF SMILES Flexibase

55019440

Analogs

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Popular Name: (3R)-3-(1-methyltetrazol-5-yl)sulfanyl-3-phenyl-propan-1-amine (3R)-3-(1-methyltetrazol-5-yl)su…

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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)	0.89	4.11	-57.99	3	5	1	71	250.351	5	↓ MOL2 SDF SMILES Flexibase

55022340

Analogs

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Popular Name: (3S)-3-(1-methyltetrazol-5-yl)sulfanyl-3-phenyl-propanenitrile (3S)-3-(1-methyltetrazol-5-yl)su…

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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)	1.28	6.46	-13.84	0	5	0	67	245.311	4	↓ MOL2 SDF SMILES Flexibase

55022342

Analogs

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Popular Name: (3R)-3-(1-methyltetrazol-5-yl)sulfanyl-3-phenyl-propanenitrile (3R)-3-(1-methyltetrazol-5-yl)su…

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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)	1.28	6.47	-13.94	0	5	0	67	245.311	4	↓ MOL2 SDF SMILES Flexibase

55022739

Analogs

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Popular Name: (3S)-N'-hydroxy-3-(1-methyltetrazol-5-yl)sulfanyl-3-phenyl-propanamidine (3S)-N'-hydroxy-3-(1-methyltetra…

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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)	1.11	2.99	-11.4	3	7	0	102	278.341	5	↓ MOL2 SDF SMILES Flexibase

55022741

Analogs

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Popular Name: (3R)-N'-hydroxy-3-(1-methyltetrazol-5-yl)sulfanyl-3-phenyl-propanamidine (3R)-N'-hydroxy-3-(1-methyltetra…

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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)	1.11	3.08	-12.9	3	7	0	102	278.341	5	↓ MOL2 SDF SMILES Flexibase

55024065

Analogs

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Popular Name: (3S)-3-(1-methyltetrazol-5-yl)sulfanyl-3-phenyl-propanamidine (3S)-3-(1-methyltetrazol-5-yl)su…

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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)	1.18	3.59	-48.33	4	6	1	95	263.35	5	↓ MOL2 SDF SMILES Flexibase

55024068

Analogs

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Popular Name: (3R)-3-(1-methyltetrazol-5-yl)sulfanyl-3-phenyl-propanamidine (3R)-3-(1-methyltetrazol-5-yl)su…

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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)	1.18	3.63	-48.52	4	6	1	95	263.35	5	↓ MOL2 SDF SMILES Flexibase

65575418

Analogs

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Popular Name: 2-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]-N,N-dimethyl-ethanamine 2-[5-[(2-fluorophenyl)methylsulf…

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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)	1.98	7.71	-44.79	1	5	1	48	282.368	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.98	5.24	-8.36	0	5	0	47	281.36	6	↓ MOL2 SDF SMILES Flexibase

69808379

Analogs

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Popular Name: 2-[5-[(2-fluoro-6-nitro-phenyl)methylsulfanyl]tetrazol-1-yl]-N,N-dimethyl-ethanamine 2-[5-[(2-fluoro-6-nitro-phenyl)m…

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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)	1.89	8.29	-49.45	1	8	1	94	327.365	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.89	5.83	-12.65	0	8	0	93	326.357	7	↓ MOL2 SDF SMILES Flexibase

69844351

Analogs

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Popular Name: 1-[4-methoxy-3-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylmethyl]phenyl]ethanone 1-[4-methoxy-3-[[1-(2,2,2-triflu…

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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)	2.64	6.65	-15.39	0	6	0	70	346.334	7	↓ MOL2 SDF SMILES Flexibase

37285524

Analogs

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Popular Name: 3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide 3-amino-4-[(1-methyltetrazol-5-y…

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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)	0.06	0.24	-14.98	4	7	0	113	264.314	4	↓ MOL2 SDF SMILES Flexibase

37285526

Analogs

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Popular Name: 2-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenol 2-amino-4-[(1-methyltetrazol-5-y…

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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)	1.02	0.65	-10.26	3	6	0	90	237.288	3	↓ MOL2 SDF SMILES Flexibase

37285528

Analogs

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Popular Name: 4-amino-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenol 4-amino-2-[(1-methyltetrazol-5-y…

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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	0.58	-10.13	3	6	0	90	237.288	3	↓ MOL2 SDF SMILES Flexibase

37331174

Analogs

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Popular Name: 1-[5-fluoro-2-hydroxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone 1-[5-fluoro-2-hydroxy-3-[(1-meth…

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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)	1.53	4.59	-13.2	1	6	0	81	282.3	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.53	5.67	-45.67	0	6	-1	84	281.292	4	↓ MOL2 SDF SMILES Flexibase

49517025

Analogs

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Popular Name: 5-[(3-bromo-4-fluoro-phenyl)methylsulfanyl]-1-tert-butyl-tetrazole 5-[(3-bromo-4-fluoro-phenyl)meth…

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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)	3.92	7.83	-9.58	0	4	0	44	345.241	4	↓ MOL2 SDF SMILES Flexibase

49517066

Analogs

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Popular Name: 5-[(3-bromo-4-fluoro-phenyl)methylsulfanyl]-1-isopropyl-tetrazole 5-[(3-bromo-4-fluoro-phenyl)meth…

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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)	3.47	7.72	-9.3	0	4	0	44	331.214	4	↓ MOL2 SDF SMILES Flexibase

49517069

Analogs

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Popular Name: 5-[(2,4-dichlorophenyl)methylsulfanyl]-1-isopropyl-tetrazole 5-[(2,4-dichlorophenyl)methylsul…

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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)	3.85	8	-8.06	0	4	0	44	303.218	4	↓ MOL2 SDF SMILES Flexibase

49517072

Analogs

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Popular Name: 2-[3-[(1-ethyltetrazol-5-yl)sulfanylmethyl]phenoxy]acetamide 2-[3-[(1-ethyltetrazol-5-yl)sulf…

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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)	0.97	3.8	-18.51	2	7	0	96	293.352	7	↓ MOL2 SDF SMILES Flexibase

49517073

Analogs

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Popular Name: 5-[[5-bromo-2-(difluoromethoxy)phenyl]methylsulfanyl]-1-ethyl-tetrazole 5-[[5-bromo-2-(difluoromethoxy)p…

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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)	3.56	6.64	-9.73	0	5	0	53	365.203	6	↓ MOL2 SDF SMILES Flexibase

49517076

Analogs

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Popular Name: 5-[(3-bromo-4-fluoro-phenyl)methylsulfanyl]-1-ethyl-tetrazole 5-[(3-bromo-4-fluoro-phenyl)meth…

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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)	3.11	7.04	-9.59	0	4	0	44	317.187	4	↓ MOL2 SDF SMILES Flexibase

49517078

Analogs

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Popular Name: 3-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-N,N-dimethyl-benzamide 3-[(1-ethyltetrazol-5-yl)sulfany…

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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)	1.15	6.24	-13.98	0	6	0	64	291.38	5	↓ MOL2 SDF SMILES Flexibase

49517080

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2,4-dichlorophenyl)methylsulfanyl]-1-ethyl-tetrazole 5-[(2,4-dichlorophenyl)methylsul…

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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)	3.49	7.32	-8.35	0	4	0	44	289.191	4	↓ MOL2 SDF SMILES Flexibase

49517259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-bromo-4-fluoro-phenyl)methylsulfanyl]-1-isobutyl-tetrazole 5-[(3-bromo-4-fluoro-phenyl)meth…

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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)	3.85	7.97	-9.1	0	4	0	44	345.241	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 1936
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 = 1936 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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": "1936"        

    });
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