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)	2.17	7.07	-7.66	1	4	0	54	261.35	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.17	6.09	-41.97	0	4	-1	56	260.342	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.17	6.18	-13.73	1	4	0	54	261.35	4	↓ MOL2 SDF SMILES Flexibase

5562506

Analogs

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Popular Name: 2-(2-isopropylideneaminoamino-4-oxo-thiazol-5-yl)-N-(1-naphthyl)acetamide 2-(2-isopropylideneaminoamino-4-…

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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)	2.60	7.79	-13.83	2	6	0	83	354.435	4	↓ MOL2 SDF SMILES Flexibase

5562509

Analogs

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Popular Name: N-(2-bromophenyl)-2-(2-isopropylideneaminoamino-4-oxo-thiazol-5-yl)-acetamide N-(2-bromophenyl)-2-(2-isopropyl…

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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)	2.20	6.15	-11.2	2	6	0	83	383.271	4	↓ MOL2 SDF SMILES Flexibase

5562722

Analogs

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Popular Name: 2-[2-[(2-hydroxy-1H-indol-3-yl)azo]-4-oxo-thiazol-5-yl]ethyl 2-[2-[(2-hydroxy-1H-indol-3-yl)a…

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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)	1.25	4.91	-17.96	2	8	0	113	346.368	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.07	4.05	-21.32	2	8	0	113	346.368	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.71	2.92	-58.98	1	8	-1	116	345.36	5	↓ MOL2 SDF SMILES Flexibase

5562892

Analogs

15919721

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Popular Name: 5-[(4-acetylphenyl)methyl]-2-amino-thiazol-4-one 5-[(4-acetylphenyl)methyl]-2-ami…

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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)	1.16	4.8	-10.92	2	4	0	70	248.307	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.03	3.55	-38.86	1	4	-1	70	247.299	3	↓ MOL2 SDF SMILES Flexibase

5562895

Analogs

15919721

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Popular Name: 5-[(4-acetylphenyl)methyl]-2-amino-thiazol-4-one 5-[(4-acetylphenyl)methyl]-2-ami…

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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)	1.16	4.79	-10.22	2	4	0	70	248.307	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.03	3.55	-36.85	1	4	-1	70	247.299	3	↓ MOL2 SDF SMILES Flexibase

5562948

Analogs

1213498

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Popular Name: N-(3-acetylphenyl)-2-(2-benzylideneaminoamino-4-oxo-thiazol-5-yl)-acetamide N-(3-acetylphenyl)-2-(2-benzylid…

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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)	2.09	8.28	-21.07	2	7	0	100	394.456	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.62	7.21	-57.76	1	7	-1	102	393.448	7	↓ MOL2 SDF SMILES Flexibase

5563157

Analogs

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Popular Name: N-(2,5-dichlorophenyl)-2-[2-(1,2-dimethylpropylideneaminoamino)-4-oxo-thiazol-5-yl]-acetamide N-(2,5-dichlorophenyl)-2-[2-(1,2…

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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)	3.47	7.93	-10.86	2	6	0	83	401.319	5	↓ MOL2 SDF SMILES Flexibase

5563162

Analogs

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Popular Name: 2-[2-(1,2-dimethylpropylideneaminoamino)-4-oxo-thiazol-5-yl]-N-(4-fluorophenyl)-acetamide 2-[2-(1,2-dimethylpropylideneami…

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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	5.98	-16.3	2	6	0	83	350.419	5	↓ MOL2 SDF SMILES Flexibase

5563166

Analogs

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Popular Name: 2-[2-(1,2-dimethylpropylideneaminoamino)-4-oxo-thiazol-5-yl]-N-(1-naphthyl)acetamide 2-[2-(1,2-dimethylpropylideneami…

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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)	3.35	9.27	-13.4	2	6	0	83	382.489	5	↓ MOL2 SDF SMILES Flexibase

5563358

Analogs

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Popular Name: 2-(2-amino-4-oxo-thiazol-5-yl)-N-isopropyl-acetamide 2-(2-amino-4-oxo-thiazol-5-yl)-N…

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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)	-0.49	0.55	-8.74	3	5	0	82	215.278	3	↓ MOL2 SDF SMILES Flexibase

5563912

Analogs

13140515
13140516
13140517

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Popular Name: 2-[4-oxo-2-[(3,5,5-trimethyl-1-cyclohex-2-enylidene)aminoamino]thiazol-5-yl]-N-phenyl-acetamide 2-[4-oxo-2-[(3,5,5-trimethyl-1-c…

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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)	3.32	8.77	-13.03	2	6	0	83	384.505	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.32	7.8	-16.89	2	6	0	83	384.505	5	↓ MOL2 SDF SMILES Flexibase

39892613

Analogs

5017013

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Popular Name: (5S)-3-[5-[(4-ethylphenyl)methyl]thiazol-2-yl]-2-imino-5-phenyl-thiazolidin-4-one (5S)-3-[5-[(4-ethylphenyl)methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.16	13.37	-11.61	1	4	0	57	393.537	5	↓ MOL2 SDF SMILES Flexibase

39892614

Analogs

5017013

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Popular Name: (5R)-3-[5-[(4-ethylphenyl)methyl]thiazol-2-yl]-2-imino-5-phenyl-thiazolidin-4-one (5R)-3-[5-[(4-ethylphenyl)methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.16	13.37	-11.5	1	4	0	57	393.537	5	↓ MOL2 SDF SMILES Flexibase

39892615

Analogs

4384920

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Popular Name: (5R)-2-imino-3-[5-[(4-isopropylphenyl)methyl]thiazol-2-yl]-5-methyl-thiazolidin-4-one (5R)-2-imino-3-[5-[(4-isopropylp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.54	10.93	-10.73	1	4	0	57	345.493	4	↓ MOL2 SDF SMILES Flexibase

39892616

Analogs

4384920

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Popular Name: (5S)-2-imino-3-[5-[(4-isopropylphenyl)methyl]thiazol-2-yl]-5-methyl-thiazolidin-4-one (5S)-2-imino-3-[5-[(4-isopropylp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.54	10.93	-10.7	1	4	0	57	345.493	4	↓ MOL2 SDF SMILES Flexibase

39892617

Analogs

5017013

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-imino-3-[5-[(4-isopropylphenyl)methyl]thiazol-2-yl]-5-phenyl-thiazolidin-4-one (5S)-2-imino-3-[5-[(4-isopropylp…

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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)	5.76	13.86	-11.48	1	4	0	57	407.564	5	↓ MOL2 SDF SMILES Flexibase

39892618

Analogs

5017013

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Popular Name: (5R)-2-imino-3-[5-[(4-isopropylphenyl)methyl]thiazol-2-yl]-5-phenyl-thiazolidin-4-one (5R)-2-imino-3-[5-[(4-isopropylp…

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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)	5.76	13.86	-11.42	1	4	0	57	407.564	5	↓ MOL2 SDF SMILES Flexibase

39892619

Analogs

5017019

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Popular Name: (5R)-3-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-2-imino-5-phenyl-thiazolidin-4-one (5R)-3-[5-[(3-chlorophenyl)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)	4.90	12.44	-12.03	1	4	0	57	399.928	4	↓ MOL2 SDF SMILES Flexibase

39892620

Analogs

5017019

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Popular Name: (5S)-3-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-2-imino-5-phenyl-thiazolidin-4-one (5S)-3-[5-[(3-chlorophenyl)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)	4.90	12.44	-12.14	1	4	0	57	399.928	4	↓ MOL2 SDF SMILES Flexibase

39892621

Analogs

5017021

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Popular Name: (5R)-3-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-2-imino-5-phenyl-thiazolidin-4-one (5R)-3-[5-[(4-chlorophenyl)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)	4.93	12.45	-12.22	1	4	0	57	399.928	4	↓ MOL2 SDF SMILES Flexibase

39892622

Analogs

5017021

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Popular Name: (5S)-3-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-2-imino-5-phenyl-thiazolidin-4-one (5S)-3-[5-[(4-chlorophenyl)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)	4.93	12.45	-12.34	1	4	0	57	399.928	4	↓ MOL2 SDF SMILES Flexibase

39892623

Analogs

11689760
11689759
4384918

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Popular Name: (5R)-2-imino-5-methyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]thiazolidin-4-one (5R)-2-imino-5-methyl-3-[5-[[3-(…

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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)	3.90	10.02	-12.14	1	4	0	57	371.409	4	↓ MOL2 SDF SMILES Flexibase

39892624

Analogs

11689760
11689759
4384918

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Popular Name: (5S)-2-imino-5-methyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]thiazolidin-4-one (5S)-2-imino-5-methyl-3-[5-[[3-(…

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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)	3.90	10.02	-12.15	1	4	0	57	371.409	4	↓ MOL2 SDF SMILES Flexibase

39892625

Analogs

6812542

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Popular Name: (5R)-2-imino-5-phenyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]thiazolidin-4-one (5R)-2-imino-5-phenyl-3-[5-[[3-(…

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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)	5.12	12.95	-12.89	1	4	0	57	433.48	5	↓ MOL2 SDF SMILES Flexibase

39892626

Analogs

6812542

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Popular Name: (5S)-2-imino-5-phenyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]thiazolidin-4-one (5S)-2-imino-5-phenyl-3-[5-[[3-(…

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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)	5.12	12.95	-13.01	1	4	0	57	433.48	5	↓ MOL2 SDF SMILES Flexibase

39892627

Analogs

16789808
16789806

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Popular Name: (5R)-3-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-2-imino-5-methyl-thiazolidin-4-one (5R)-3-[5-[(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)	3.20	9.07	-12.16	1	4	0	57	321.402	3	↓ MOL2 SDF SMILES Flexibase

39892628

Analogs

16789808
16789806

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Popular Name: (5S)-3-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-2-imino-5-methyl-thiazolidin-4-one (5S)-3-[5-[(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)	3.19	9.07	-12.12	1	4	0	57	321.402	3	↓ MOL2 SDF SMILES Flexibase

39892629

Analogs

5017019

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Popular Name: (5R)-3-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-2-imino-5-phenyl-thiazolidin-4-one (5R)-3-[5-[(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)	4.41	12	-12.9	1	4	0	57	383.473	4	↓ MOL2 SDF SMILES Flexibase

39892630

Analogs

5017019

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-2-imino-5-phenyl-thiazolidin-4-one (5S)-3-[5-[(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)	4.41	12	-12.99	1	4	0	57	383.473	4	↓ MOL2 SDF SMILES Flexibase

39892631

Analogs

16789808
16789806

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-2-imino-5-methyl-thiazolidin-4-one (5R)-3-[5-[(2-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)	3.15	9.04	-11.77	1	4	0	57	321.402	3	↓ MOL2 SDF SMILES Flexibase

39892632

Analogs

16789808
16789806

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-2-imino-5-methyl-thiazolidin-4-one (5S)-3-[5-[(2-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)	3.15	9.04	-11.77	1	4	0	57	321.402	3	↓ MOL2 SDF SMILES Flexibase

39892633

Analogs

5017019

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Popular Name: (5R)-3-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-2-imino-5-phenyl-thiazolidin-4-one (5R)-3-[5-[(2-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)	4.37	11.97	-12.47	1	4	0	57	383.473	4	↓ MOL2 SDF SMILES Flexibase

39892634

Analogs

5017019

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-2-imino-5-phenyl-thiazolidin-4-one (5S)-3-[5-[(2-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)	4.37	11.97	-12.57	1	4	0	57	383.473	4	↓ MOL2 SDF SMILES Flexibase

39892635

Analogs

11689760
11689759
5001305

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-2-imino-5-methyl-thiazolidin-4-o (5R)-3-[5-[[2-chloro-5-(trifluor…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.53	10.23	-10.97	1	4	0	57	405.854	4	↓ MOL2 SDF SMILES Flexibase

39892636

Analogs

11689760
11689759
5001305

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-2-imino-5-methyl-thiazolidin-4-o (5S)-3-[5-[[2-chloro-5-(trifluor…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.53	10.23	-11.02	1	4	0	57	405.854	4	↓ MOL2 SDF SMILES Flexibase

39892637

Analogs

5017024

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Popular Name: (5R)-3-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-2-imino-5-phenyl-thiazolidin-4-o (5R)-3-[5-[[2-chloro-5-(trifluor…

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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)	5.75	13.15	-11.74	1	4	0	57	467.925	5	↓ MOL2 SDF SMILES Flexibase

39892638

Analogs

5017024

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-2-imino-5-phenyl-thiazolidin-4-o (5S)-3-[5-[[2-chloro-5-(trifluor…

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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)	5.75	13.15	-11.83	1	4	0	57	467.925	5	↓ MOL2 SDF SMILES Flexibase

39892639

Analogs

4384916
5001299

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Popular Name: 2-imino-3-[5-[(3-nitrophenyl)methyl]thiazol-2-yl]thiazolidin-4-one 2-imino-3-[5-[(3-nitrophenyl)met…

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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)	2.60	9.03	-17.83	1	7	0	103	334.382	4	↓ MOL2 SDF SMILES Flexibase

39892640

Analogs

16789806
16789808

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Popular Name: (5R)-2-imino-5-methyl-3-[5-[(3-nitrophenyl)methyl]thiazol-2-yl]thiazolidin-4-one (5R)-2-imino-5-methyl-3-[5-[(3-n…

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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)	2.97	9.72	-16.13	1	7	0	103	348.409	4	↓ MOL2 SDF SMILES Flexibase

39892641

Analogs

16789806
16789808

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-imino-5-methyl-3-[5-[(3-nitrophenyl)methyl]thiazol-2-yl]thiazolidin-4-one (5S)-2-imino-5-methyl-3-[5-[(3-n…

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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)	2.97	9.72	-16.14	1	7	0	103	348.409	4	↓ MOL2 SDF SMILES Flexibase

39892642

Analogs

5017019

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-imino-3-[5-[(3-nitrophenyl)methyl]thiazol-2-yl]-5-phenyl-thiazolidin-4-one (5R)-2-imino-3-[5-[(3-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)	4.18	12.64	-16.95	1	7	0	103	410.48	5	↓ MOL2 SDF SMILES Flexibase

39892643

Analogs

5017019

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-imino-3-[5-[(3-nitrophenyl)methyl]thiazol-2-yl]-5-phenyl-thiazolidin-4-one (5S)-2-imino-3-[5-[(3-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)	4.18	12.64	-16.99	1	7	0	103	410.48	5	↓ MOL2 SDF SMILES Flexibase

39892644

Analogs

5017028

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[5-[(2,3-dichlorophenyl)methyl]thiazol-2-yl]-2-imino-5-phenyl-thiazolidin-4-one (5R)-3-[5-[(2,3-dichlorophenyl)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)	5.51	12.77	-13.01	1	4	0	57	434.373	4	↓ MOL2 SDF SMILES Flexibase

39892645

Analogs

5017028

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[5-[(2,3-dichlorophenyl)methyl]thiazol-2-yl]-2-imino-5-phenyl-thiazolidin-4-one (5S)-3-[5-[(2,3-dichlorophenyl)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)	5.51	12.77	-13	1	4	0	57	434.373	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 1612
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 = 1612 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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": "1612"        

    });
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