ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

25462256

Analogs

25596527
25602518
25602524
25602529
25602533

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-6-[(4-fluorophenyl)methyl]-N-isopropyl-5-oxo-thiomorpholine-3-carboxamide (3R,6S)-6-[(4-fluorophenyl)methy…

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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)	1.53	5.14	-13.23	2	4	0	58	310.394	4	↓ MOL2 SDF SMILES Flexibase

25462261

Analogs

25596527
25602518
25602524
25602529
25602533

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-6-[(4-fluorophenyl)methyl]-N-isopropyl-5-oxo-thiomorpholine-3-carboxamide (3S,6S)-6-[(4-fluorophenyl)methy…

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)	1.53	5.17	-16.51	2	4	0	58	310.394	4	↓ MOL2 SDF SMILES Flexibase

25462267

Analogs

25596527
25602518
25602524
25602529
25602533

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-6-[(4-fluorophenyl)methyl]-N-isopropyl-5-oxo-thiomorpholine-3-carboxamide (3R,6R)-6-[(4-fluorophenyl)methy…

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)	1.53	5.16	-16.45	2	4	0	58	310.394	4	↓ MOL2 SDF SMILES Flexibase

25462273

Analogs

25596527
25602518
25602524
25602529
25602533

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-6-[(4-fluorophenyl)methyl]-N-isopropyl-5-oxo-thiomorpholine-3-carboxamide (3S,6R)-6-[(4-fluorophenyl)methy…

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)	1.53	5.13	-13.24	2	4	0	58	310.394	4	↓ MOL2 SDF SMILES Flexibase

25462314

Analogs

25462320
25462325
25462330

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine (3R,6S)-N-(1,5-dimethyl-3-oxo-2-…

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)	1.94	9.71	-32.52	2	7	0	85	454.527	5	↓ MOL2 SDF SMILES Flexibase

25462320

Analogs

25462325
25462330
25462314

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine (3S,6S)-N-(1,5-dimethyl-3-oxo-2-…

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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)	1.94	8.78	-33.44	2	7	0	85	454.527	5	↓ MOL2 SDF SMILES Flexibase

25462325

Analogs

25462330
25462320
25462314

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine (3R,6R)-N-(1,5-dimethyl-3-oxo-2-…

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)	1.94	9.18	-35.68	2	7	0	85	454.527	5	↓ MOL2 SDF SMILES Flexibase

25462330

Analogs

25462325
25462320
25462314

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine (3S,6R)-N-(1,5-dimethyl-3-oxo-2-…

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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)	1.94	9.72	-31.91	2	7	0	85	454.527	5	↓ MOL2 SDF SMILES Flexibase

25462410

Analogs

36055771
36055772
40057703
40057706
40057708

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-6-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-phenyl-thiomorpholine-3-carboxamide (3R,6S)-6-[(4-fluorophenyl)methy…

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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)	2.80	8.85	-12.83	1	4	0	49	358.438	4	↓ MOL2 SDF SMILES Flexibase

25462416

Analogs

36055771
36055772
40057703
40057706
40057708

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-6-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-phenyl-thiomorpholine-3-carboxamide (3S,6S)-6-[(4-fluorophenyl)methy…

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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)	2.80	8.84	-16.23	1	4	0	49	358.438	4	↓ MOL2 SDF SMILES Flexibase

25462423

Analogs

36055771
36055772
40057703
40057706
40057708

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-6-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-phenyl-thiomorpholine-3-carboxamide (3R,6R)-6-[(4-fluorophenyl)methy…

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)	2.80	8.87	-16.38	1	4	0	49	358.438	4	↓ MOL2 SDF SMILES Flexibase

25462427

Analogs

36055771
36055772
40057703
40057706
40057708

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-6-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-phenyl-thiomorpholine-3-carboxamide (3S,6R)-6-[(4-fluorophenyl)methy…

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)	2.80	8.81	-12.65	1	4	0	49	358.438	4	↓ MOL2 SDF SMILES Flexibase

25462473

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N'-benzoyl-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carbohydrazide (3R,6S)-N'-benzoyl-6-[(4-fluorop…

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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)	1.65	6.06	-14.42	3	6	0	87	387.436	5	↓ MOL2 SDF SMILES Flexibase

25462478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-N'-benzoyl-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carbohydrazide (3R,6R)-N'-benzoyl-6-[(4-fluorop…

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)	1.65	6.08	-17.22	3	6	0	87	387.436	5	↓ MOL2 SDF SMILES Flexibase

25462483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N'-benzoyl-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carbohydrazide (3S,6S)-N'-benzoyl-6-[(4-fluorop…

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)	1.65	6.08	-17.22	3	6	0	87	387.436	5	↓ MOL2 SDF SMILES Flexibase

25462488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-N'-benzoyl-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carbohydrazide (3S,6R)-N'-benzoyl-6-[(4-fluorop…

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)	1.65	6.09	-14.44	3	6	0	87	387.436	5	↓ MOL2 SDF SMILES Flexibase

25462545

Analogs

32754689
32754690
32754691
32754692

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N-(5-tert-butyl-2-methoxy-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxam (3R,6S)-N-(5-tert-butyl-2-methox…

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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)	4.24	8.97	-12.66	2	5	0	67	430.545	6	↓ MOL2 SDF SMILES Flexibase

25462550

Analogs

32754689
32754690
32754691
32754692

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N-(5-tert-butyl-2-methoxy-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxam (3S,6S)-N-(5-tert-butyl-2-methox…

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)	4.24	9.03	-15.75	2	5	0	67	430.545	6	↓ MOL2 SDF SMILES Flexibase

25462555

Analogs

32754689
32754690
32754691
32754692

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-N-(5-tert-butyl-2-methoxy-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxam (3R,6R)-N-(5-tert-butyl-2-methox…

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)	4.24	9.04	-15.91	2	5	0	67	430.545	6	↓ MOL2 SDF SMILES Flexibase

25462560

Analogs

32754689
32754690
32754691
32754692

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-N-(5-tert-butyl-2-methoxy-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxam (3S,6R)-N-(5-tert-butyl-2-methox…

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)	4.24	8.97	-12.82	2	5	0	67	430.545	6	↓ MOL2 SDF SMILES Flexibase

25462596

Analogs

30867901
30867908
30867916
30867922

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamid (3R,6S)-N-[2-(3,4-diethoxyphenyl…

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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)	3.06	9.17	-20.27	2	6	0	77	460.571	10	↓ MOL2 SDF SMILES Flexibase

25462602

Analogs

30867901
30867908
30867916
30867922

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamid (3S,6S)-N-[2-(3,4-diethoxyphenyl…

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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)	3.06	9.22	-23.49	2	6	0	77	460.571	10	↓ MOL2 SDF SMILES Flexibase

25462609

Analogs

30867901
30867908
30867916
30867922

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamid (3R,6R)-N-[2-(3,4-diethoxyphenyl…

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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)	3.06	9.2	-23.49	2	6	0	77	460.571	10	↓ MOL2 SDF SMILES Flexibase

25462614

Analogs

30867901
30867908
30867916
30867922

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamid (3S,6R)-N-[2-(3,4-diethoxyphenyl…

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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)	3.06	9.18	-20.13	2	6	0	77	460.571	10	↓ MOL2 SDF SMILES Flexibase

25462747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-6-[(4-fluorophenyl)methyl]-5-oxo-N-(5-quinolyl)thiomorpholine-3-carboxamide (3R,6S)-6-[(4-fluorophenyl)methy…

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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)	2.81	7.73	-18.85	2	5	0	71	395.459	4	↓ MOL2 SDF SMILES Flexibase

25462750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-6-[(4-fluorophenyl)methyl]-5-oxo-N-(5-quinolyl)thiomorpholine-3-carboxamide (3R,6R)-6-[(4-fluorophenyl)methy…

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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)	2.81	7.79	-22.31	2	5	0	71	395.459	4	↓ MOL2 SDF SMILES Flexibase

25462755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-6-[(4-fluorophenyl)methyl]-5-oxo-N-(5-quinolyl)thiomorpholine-3-carboxamide (3S,6S)-6-[(4-fluorophenyl)methy…

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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)	2.81	7.77	-22.49	2	5	0	71	395.459	4	↓ MOL2 SDF SMILES Flexibase

25462760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-6-[(4-fluorophenyl)methyl]-5-oxo-N-(5-quinolyl)thiomorpholine-3-carboxamide (3S,6R)-6-[(4-fluorophenyl)methy…

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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)	2.81	7.75	-18.58	2	5	0	71	395.459	4	↓ MOL2 SDF SMILES Flexibase

25462832

Analogs

25614148
25614152
40057703
40057706
40057708

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-6-[(4-fluorophenyl)methyl]-N-(3-methylsulfanylphenyl)-5-oxo-thiomorpholine-3-carboxamide (3R,6S)-6-[(4-fluorophenyl)methy…

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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)	2.96	8.29	-17.66	2	4	0	58	390.505	5	↓ MOL2 SDF SMILES Flexibase

25462837

Analogs

25614148
25614152
40057703
40057706
40057708

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-6-[(4-fluorophenyl)methyl]-N-(3-methylsulfanylphenyl)-5-oxo-thiomorpholine-3-carboxamide (3S,6S)-6-[(4-fluorophenyl)methy…

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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)	2.96	8.27	-21.21	2	4	0	58	390.505	5	↓ MOL2 SDF SMILES Flexibase

25462843

Analogs

25614148
25614152
40057703
40057706
40057708

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-6-[(4-fluorophenyl)methyl]-N-(3-methylsulfanylphenyl)-5-oxo-thiomorpholine-3-carboxamide (3R,6R)-6-[(4-fluorophenyl)methy…

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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)	2.96	8.28	-21.27	2	4	0	58	390.505	5	↓ MOL2 SDF SMILES Flexibase

25462849

Analogs

25614148
25614152
40057703
40057706
40057708

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-6-[(4-fluorophenyl)methyl]-N-(3-methylsulfanylphenyl)-5-oxo-thiomorpholine-3-carboxamide (3S,6R)-6-[(4-fluorophenyl)methy…

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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)	2.96	8.26	-17.5	2	4	0	58	390.505	5	↓ MOL2 SDF SMILES Flexibase

25462890

Analogs

25602518
25602524
25602529
25602533
12818372

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-6-[(4-fluorophenyl)methyl]-5-oxo-N-[2-(p-tolylmethylsulfanyl)ethyl]thiomorpholine-3-carboxam (3R,6S)-6-[(4-fluorophenyl)methy…

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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)	3.42	10.14	-17.05	2	4	0	58	432.586	8	↓ MOL2 SDF SMILES Flexibase

25462896

Analogs

25602518
25602524
25602529
25602533
12818372

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-6-[(4-fluorophenyl)methyl]-5-oxo-N-[2-(p-tolylmethylsulfanyl)ethyl]thiomorpholine-3-carboxam (3S,6S)-6-[(4-fluorophenyl)methy…

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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)	3.42	10.17	-20.5	2	4	0	58	432.586	8	↓ MOL2 SDF SMILES Flexibase

25462901

Analogs

25602518
25602524
25602529
25602533
12818372

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-6-[(4-fluorophenyl)methyl]-5-oxo-N-[2-(p-tolylmethylsulfanyl)ethyl]thiomorpholine-3-carboxam (3R,6R)-6-[(4-fluorophenyl)methy…

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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)	3.42	10.14	-20.53	2	4	0	58	432.586	8	↓ MOL2 SDF SMILES Flexibase

25462906

Analogs

25602518
25602524
25602529
25602533
12818372

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-6-[(4-fluorophenyl)methyl]-5-oxo-N-[2-(p-tolylmethylsulfanyl)ethyl]thiomorpholine-3-carboxam (3S,6R)-6-[(4-fluorophenyl)methy…

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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)	3.42	10.14	-16.96	2	4	0	58	432.586	8	↓ MOL2 SDF SMILES Flexibase

25462976

Analogs

32754611
32754612
32754613
32754614

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N-(3-carbamoylphenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamide (3R,6S)-N-(3-carbamoylphenyl)-6-…

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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)	1.35	3.93	-27.27	4	6	0	101	387.436	5	↓ MOL2 SDF SMILES Flexibase

25462980

Analogs

32754611
32754612
32754613
32754614

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N-(3-carbamoylphenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamide (3S,6S)-N-(3-carbamoylphenyl)-6-…

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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)	1.35	3.97	-31.53	4	6	0	101	387.436	5	↓ MOL2 SDF SMILES Flexibase

25462984

Analogs

32754611
32754612
32754613
32754614

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-N-(3-carbamoylphenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamide (3R,6R)-N-(3-carbamoylphenyl)-6-…

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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)	1.35	3.98	-31.38	4	6	0	101	387.436	5	↓ MOL2 SDF SMILES Flexibase

25462989

Analogs

32754611
32754612
32754613
32754614

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-N-(3-carbamoylphenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamide (3S,6R)-N-(3-carbamoylphenyl)-6-…

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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)	1.35	3.95	-27.28	4	6	0	101	387.436	5	↓ MOL2 SDF SMILES Flexibase

25463036

Analogs

25463042
25463045
25463052

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carb (3R,6S)-N-(2,2-difluoro-1,3-benz…

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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)	3.07	6.3	-16.65	2	6	0	77	424.4	4	↓ MOL2 SDF SMILES Flexibase

25463042

Analogs

25463045
25463052
25463036

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carb (3R,6R)-N-(2,2-difluoro-1,3-benz…

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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)	3.07	6.34	-24.51	2	6	0	77	424.4	4	↓ MOL2 SDF SMILES Flexibase

25463045

Analogs

25463052
25463042
25463036

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carb (3S,6S)-N-(2,2-difluoro-1,3-benz…

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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)	3.07	6.33	-24.45	2	6	0	77	424.4	4	↓ MOL2 SDF SMILES Flexibase

25463052

Analogs

25463045
25463042

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carb (3S,6R)-N-(2,2-difluoro-1,3-benz…

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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)	3.07	6.29	-20.73	2	6	0	77	424.4	4	↓ MOL2 SDF SMILES Flexibase

25463106

Analogs

25463615
25463621
25463628
25463634
40052206

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-6-[(4-fluorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiomorpholine-3-carboxam (3R,6S)-6-[(4-fluorophenyl)methy…

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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	9.05	-20.78	2	6	0	79	427.501	5	↓ MOL2 SDF SMILES Flexibase

25463111

Analogs

25463615
25463621
25463628
25463634
40052206

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-6-[(4-fluorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiomorpholine-3-carboxam (3R,6R)-6-[(4-fluorophenyl)methy…

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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	9.09	-24.18	2	6	0	79	427.501	5	↓ MOL2 SDF SMILES Flexibase

25463116

Analogs

25463615
25463621
25463628
25463634
40052206

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-6-[(4-fluorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiomorpholine-3-carboxam (3S,6S)-6-[(4-fluorophenyl)methy…

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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	9.09	-24.18	2	6	0	79	427.501	5	↓ MOL2 SDF SMILES Flexibase

25463123

Analogs

25463615
25463621
25463628
25463634
40052206

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-6-[(4-fluorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiomorpholine-3-carboxam (3S,6R)-6-[(4-fluorophenyl)methy…

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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	9.07	-20.79	2	6	0	79	427.501	5	↓ MOL2 SDF SMILES Flexibase

25463209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-6-[(4-fluorophenyl)methyl]-N-(1-isopropylpyrazolo[4,5-e]pyridin-5-yl)-5-oxo-thiomorpholine-3 (3R,6S)-6-[(4-fluorophenyl)methy…

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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)	2.29	7.97	-19.47	2	7	0	89	427.505	5	↓ MOL2 SDF SMILES Flexibase

25463215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-6-[(4-fluorophenyl)methyl]-N-(1-isopropylpyrazolo[4,5-e]pyridin-5-yl)-5-oxo-thiomorpholine-3 (3S,6S)-6-[(4-fluorophenyl)methy…

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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)	2.29	8.01	-22.78	2	7	0	89	427.505	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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