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)	0.87	4.62	-16.31	0	6	0	53	341.477	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.87	6.58	-52.4	1	6	1	54	342.485	5	↓ MOL2 SDF SMILES Flexibase

52817024

Analogs

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Popular Name: N-[(1R)-1-methylpropyl]-3-(2-oxothiazolidin-3-yl)propanamide N-[(1R)-1-methylpropyl]-3-(2-oxo…

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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	3.76	-14.99	1	4	0	49	230.333	5	↓ MOL2 SDF SMILES Flexibase

52817025

Analogs

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Popular Name: N-[(1S)-1-methylpropyl]-3-(2-oxothiazolidin-3-yl)propanamide N-[(1S)-1-methylpropyl]-3-(2-oxo…

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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	3.76	-14.95	1	4	0	49	230.333	5	↓ MOL2 SDF SMILES Flexibase

52817122

Analogs

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Popular Name: 3-[3-oxo-3-(1-piperidyl)propyl]thiazolidin-2-one 3-[3-oxo-3-(1-piperidyl)propyl]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)	1.12	5.15	-15.21	0	4	0	41	242.344	3	↓ MOL2 SDF SMILES Flexibase

52817141

Analogs

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Popular Name: 3-[3-(azepan-1-yl)-3-oxo-propyl]thiazolidin-2-one 3-[3-(azepan-1-yl)-3-oxo-propyl]…

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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)	1.63	6.18	-14.71	0	4	0	41	256.371	3	↓ MOL2 SDF SMILES Flexibase

52817150

Analogs

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Popular Name: 3-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]thiazolidin-2-one 3-[3-(4-methylpiperazin-1-yl)-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)	0.11	2.63	-15.1	0	5	0	44	257.359	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.11	4.98	-53.29	1	5	1	45	258.367	3	↓ MOL2 SDF SMILES Flexibase

52817154

Analogs

36793447
36973948
36973950

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-3-(2-oxothiazolidin-3-yl)propanamide N-isopropyl-3-(2-oxothiazolidin-…

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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)	0.64	2.78	-15.15	1	4	0	49	216.306	4	↓ MOL2 SDF SMILES Flexibase

52817298

Analogs

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Popular Name: 3-(3-oxo-3-pyrrolidin-1-yl-propyl)thiazolidin-2-one 3-(3-oxo-3-pyrrolidin-1-yl-propy…

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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)	0.62	4.4	-15.54	0	4	0	41	228.317	3	↓ MOL2 SDF SMILES Flexibase

52817362

Analogs

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Popular Name: N-cyclohexyl-3-(2-oxothiazolidin-3-yl)propanamide N-cyclohexyl-3-(2-oxothiazolidin…

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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	4.66	-15.14	1	4	0	49	256.371	4	↓ MOL2 SDF SMILES Flexibase

52817406

Analogs

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Popular Name: N,N-diethyl-3-(2-oxothiazolidin-3-yl)propanamide N,N-diethyl-3-(2-oxothiazolidin-…

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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	5.02	-15.26	0	4	0	41	230.333	5	↓ MOL2 SDF SMILES Flexibase

52817471

Analogs

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Popular Name: 3-(2-oxothiazolidin-3-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide 3-(2-oxothiazolidin-3-yl)-N-[[(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)	0.34	2.27	-16.06	1	5	0	59	258.343	5	↓ MOL2 SDF SMILES Flexibase

52817472

Analogs

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Popular Name: 3-(2-oxothiazolidin-3-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]propanamide 3-(2-oxothiazolidin-3-yl)-N-[[(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)	0.34	2.27	-14.89	1	5	0	59	258.343	5	↓ MOL2 SDF SMILES Flexibase

52817489

Analogs

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Popular Name: 3-(3-morpholino-3-oxo-propyl)thiazolidin-2-one 3-(3-morpholino-3-oxo-propyl)thi…

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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	2.71	-16.16	0	5	0	50	244.316	3	↓ MOL2 SDF SMILES Flexibase

52817686

Analogs

36793447

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Popular Name: N-tert-butyl-3-(2-oxothiazolidin-3-yl)propanamide N-tert-butyl-3-(2-oxothiazolidin…

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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	3.29	-14.34	1	4	0	49	230.333	4	↓ MOL2 SDF SMILES Flexibase

52817968

Analogs

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Popular Name: N,N-dimethyl-3-(2-oxothiazolidin-3-yl)propanamide N,N-dimethyl-3-(2-oxothiazolidin…

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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)	-0.23	3.11	-15.58	0	4	0	41	202.279	3	↓ MOL2 SDF SMILES Flexibase

52818027

Analogs

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Popular Name: N-ethyl-3-(2-oxothiazolidin-3-yl)propanamide N-ethyl-3-(2-oxothiazolidin-3-yl…

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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)	0.35	1.99	-15.14	1	4	0	49	202.279	4	↓ MOL2 SDF SMILES Flexibase

52818032

Analogs

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Popular Name: N-allyl-3-(2-oxothiazolidin-3-yl)propanamide N-allyl-3-(2-oxothiazolidin-3-yl…

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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)	0.62	2.53	-14.77	1	4	0	49	214.29	5	↓ MOL2 SDF SMILES Flexibase

52818144

Analogs

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Popular Name: N-isobutyl-3-(2-oxothiazolidin-3-yl)propanamide N-isobutyl-3-(2-oxothiazolidin-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)	1.09	3.49	-14.79	1	4	0	49	230.333	5	↓ MOL2 SDF SMILES Flexibase

52818407

Analogs

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Popular Name: N-cyclopentyl-3-(2-oxothiazolidin-3-yl)propanamide N-cyclopentyl-3-(2-oxothiazolidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.37	4.17	-14.86	1	4	0	49	242.344	4	↓ MOL2 SDF SMILES Flexibase

52818436

Analogs

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Popular Name: 3-(2-oxothiazolidin-3-yl)-N-propyl-propanamide 3-(2-oxothiazolidin-3-yl)-N-prop…

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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)	0.85	2.75	-15.06	1	4	0	49	216.306	5	↓ MOL2 SDF SMILES Flexibase

52818512

Analogs

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Popular Name: N-cyclopropyl-3-(2-oxothiazolidin-3-yl)propanamide N-cyclopropyl-3-(2-oxothiazolidi…

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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)	0.34	2.86	-14.98	1	4	0	49	214.29	4	↓ MOL2 SDF SMILES Flexibase

52839287

Analogs

25409319
25409314

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-oxothiazolidin-3-yl)propanamide N-[(2R)-2-(dimethylamino)-2-(3-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)	1.62	6.17	-49.56	2	6	1	63	352.48	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.62	3.64	-17.75	1	6	0	62	351.472	8	↓ MOL2 SDF SMILES Flexibase

52839290

Analogs

25409319
25409314

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-oxothiazolidin-3-yl)propanamide N-[(2S)-2-(dimethylamino)-2-(3-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)	1.62	6.19	-52.28	2	6	1	63	352.48	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.62	3.75	-16.12	1	6	0	62	351.472	8	↓ MOL2 SDF SMILES Flexibase

52840151

Analogs

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Popular Name: 3-(2-oxothiazolidin-3-yl)-N-[(2R)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]propanamide 3-(2-oxothiazolidin-3-yl)-N-[(2R…

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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	7.15	-47.92	2	5	1	54	354.521	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.88	5.12	-16.36	1	5	0	53	353.513	7	↓ MOL2 SDF SMILES Flexibase

52840153

Analogs

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Popular Name: 3-(2-oxothiazolidin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]propanamide 3-(2-oxothiazolidin-3-yl)-N-[(2S…

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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	7.08	-45.28	2	5	1	54	354.521	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.88	4.9	-16.92	1	5	0	53	353.513	7	↓ MOL2 SDF SMILES Flexibase

52850971

Analogs

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Popular Name: 3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiazolidin-2-one 3-[2-oxo-2-[4-(2-pyrrolidin-1-yl…

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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)	0.27	5.45	-48.29	1	6	1	48	327.474	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.27	3.01	-16.07	0	6	0	47	326.466	5	↓ MOL2 SDF SMILES Flexibase

52851433

Analogs

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Popular Name: N-[3-(benzimidazol-1-yl)propyl]-3-(2-oxothiazolidin-3-yl)propanamide N-[3-(benzimidazol-1-yl)propyl]-…

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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)	1.43	7.33	-21.98	1	6	0	67	332.429	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.43	7.81	-47.82	2	6	1	68	333.437	7	↓ MOL2 SDF SMILES Flexibase

52854141

Analogs

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Popular Name: 3-(2-oxothiazolidin-3-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]propanamide 3-(2-oxothiazolidin-3-yl)-N-[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)	3.12	7.29	-17.4	1	5	0	59	350.484	8	↓ MOL2 SDF SMILES Flexibase

52878794

Analogs

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Popular Name: (2R)-2-[[(4R)-2-oxothiazolidine-4-carbonyl]amino]-2-phenyl-propanoic (2R)-2-[[(4R)-2-oxothiazolidine-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.72	3.96	-56.78	2	6	-1	98	293.324	4	↓ MOL2 SDF SMILES Flexibase

52878796

Analogs

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Popular Name: (2S)-2-[[(4R)-2-oxothiazolidine-4-carbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(4R)-2-oxothiazolidine-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.72	3.96	-55.91	2	6	-1	98	293.324	4	↓ MOL2 SDF SMILES Flexibase

52878799

Analogs

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Popular Name: (2R)-2-[[(4S)-2-oxothiazolidine-4-carbonyl]amino]-2-phenyl-propanoic (2R)-2-[[(4S)-2-oxothiazolidine-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.72	3.96	-55.89	2	6	-1	98	293.324	4	↓ MOL2 SDF SMILES Flexibase

52878801

Analogs

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Popular Name: (2S)-2-[[(4S)-2-oxothiazolidine-4-carbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(4S)-2-oxothiazolidine-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.72	3.96	-56.8	2	6	-1	98	293.324	4	↓ MOL2 SDF SMILES Flexibase

52899008

Analogs

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Popular Name: (4R)-N-[[4-(2-aminoethyl)phenyl]methyl]-2-oxo-thiazolidine-4-carboxamide (4R)-N-[[4-(2-aminoethyl)phenyl]…

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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)	-0.18	0.86	-59.33	5	5	1	86	280.373	5	↓ MOL2 SDF SMILES Flexibase

52899010

Analogs

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Popular Name: (4S)-N-[[4-(2-aminoethyl)phenyl]methyl]-2-oxo-thiazolidine-4-carboxamide (4S)-N-[[4-(2-aminoethyl)phenyl]…

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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)	-0.18	0.86	-59.34	5	5	1	86	280.373	5	↓ MOL2 SDF SMILES Flexibase

52924952

Analogs

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Popular Name: (4S)-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-thiazolidine-4-carboxamide (4S)-N-[2-(2-hydroxyethoxy)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)	-1.30	-4.04	-17.38	3	6	0	88	234.277	6	↓ MOL2 SDF SMILES Flexibase

52924953

Analogs

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Popular Name: (4R)-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-thiazolidine-4-carboxamide (4R)-N-[2-(2-hydroxyethoxy)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)	-1.30	-4.04	-16.86	3	6	0	88	234.277	6	↓ MOL2 SDF SMILES Flexibase

52932822

Analogs

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Popular Name: N'-[2-nitro-4-(trifluoromethyl)phenyl]-3-(2-oxothiazolidin-3-yl)propanehydrazide N'-[2-nitro-4-(trifluoromethyl)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)	2.21	6.36	-23	2	8	0	107	378.332	7	↓ MOL2 SDF SMILES Flexibase

52948403

Analogs

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Popular Name: 3-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]thiazolidin-2-one 3-[3-oxo-3-(3-oxo-2,4-dihydroqui…

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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)	0.60	4.32	-19.22	1	6	0	70	305.359	3	↓ MOL2 SDF SMILES Flexibase

53341461

Analogs

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Popular Name: N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxothiazolidin-3-yl)propanamide N-[(R)-(3-methoxyphenyl)-(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)	1.34	6.3	-20.69	1	7	0	76	374.466	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.34	7.6	-40.76	2	7	1	78	375.474	7	↓ MOL2 SDF SMILES Flexibase

53341463

Analogs

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Popular Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxothiazolidin-3-yl)propanamide N-[(S)-(3-methoxyphenyl)-(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)	1.34	6.3	-18.63	1	7	0	76	374.466	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.34	6.88	-45.38	2	7	1	78	375.474	7	↓ MOL2 SDF SMILES Flexibase

53352864

Analogs

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Popular Name: N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxothiazolidin-3-yl)propanamide N-[(R)-(2-methoxyphenyl)-(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)	1.32	6.57	-21.23	1	7	0	76	374.466	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.32	7.79	-38.48	2	7	1	78	375.474	7	↓ MOL2 SDF SMILES Flexibase

53352870

Analogs

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Popular Name: N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxothiazolidin-3-yl)propanamide N-[(S)-(2-methoxyphenyl)-(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)	1.32	6.49	-19.04	1	7	0	76	374.466	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.32	7.13	-42.92	2	7	1	78	375.474	7	↓ MOL2 SDF SMILES Flexibase

53409792

Analogs

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Popular Name: N-[(1-methylpyrazol-4-yl)methyl]-2-(2-oxothiazolidin-3-yl)acetamide N-[(1-methylpyrazol-4-yl)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)	-0.02	2.41	-18.06	1	6	0	67	254.315	4	↓ MOL2 SDF SMILES Flexibase

36130203

Analogs

42453190
42453192

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Popular Name: (4R)-N-cyclopropyl-N-(2-hydroxyethyl)-2-oxo-thiazolidine-4-carboxamide (4R)-N-cyclopropyl-N-(2-hydroxye…

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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)	-0.58	-0.56	-14.45	2	5	0	70	230.289	4	↓ MOL2 SDF SMILES Flexibase

36130204

Analogs

42453190
42453192

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Popular Name: (4S)-N-cyclopropyl-N-(2-hydroxyethyl)-2-oxo-thiazolidine-4-carboxamide (4S)-N-cyclopropyl-N-(2-hydroxye…

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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)	-0.58	-0.45	-15.64	2	5	0	70	230.289	4	↓ MOL2 SDF SMILES Flexibase

36130354

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-oxothiazolidin-3-yl)propanamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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)	-0.05	2.96	-17.85	1	5	0	61	258.343	6	↓ MOL2 SDF SMILES Flexibase

53473309

Analogs

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Popular Name: 3-(2-oxothiazolidin-3-yl)-N-(1-phenylcyclobutyl)propanamide 3-(2-oxothiazolidin-3-yl)-N-(1-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)	2.30	6.79	-16.55	1	4	0	49	304.415	5	↓ MOL2 SDF SMILES Flexibase

53474518

Analogs

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Popular Name: N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxothiazolidin-3-yl)propanamide N-[3-methyl-4-(4-methylpiperazin…

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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)	2.04	8.57	-50.51	2	6	1	57	363.507	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.04	6.2	-16.24	1	6	0	56	362.499	5	↓ MOL2 SDF SMILES Flexibase

12016908

Analogs

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Popular Name: N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-2-(2-oxothiazolidin-3-yl)-acetamide N-[5-[(3-chlorophenyl)methyl]thi…

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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)	3.67	-2.09	-22.75	1	5	0	62	367.883	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 15153 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>
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