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)	0.15	4.53	-45.13	3	4	1	53	268.406	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.15	4.18	-5.64	2	4	0	51	267.398	2	↓ MOL2 SDF SMILES Flexibase

54896876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-methyl-thiazol-5-yl (1R)-1-[2-[(4aS,7aR)-3,4a,5,6,7,…

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)	0.15	4.34	-45.2	3	4	1	53	268.406	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.15	3.99	-5.72	2	4	0	51	267.398	2	↓ MOL2 SDF SMILES Flexibase

54896884

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methanamine [2-[(4aS,7aS)-3,4a,5,6,7,7a-hexa…

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)	1.25	3.38	-46.32	3	4	1	53	240.352	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.25	2.98	-5.58	2	4	0	51	239.344	2	↓ MOL2 SDF SMILES Flexibase

54896886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methanamine [2-[(4aS,7aR)-3,4a,5,6,7,7a-hexa…

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)	1.25	3.17	-46.52	3	4	1	53	240.352	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.25	2.77	-5.6	2	4	0	51	239.344	2	↓ MOL2 SDF SMILES Flexibase

54896894

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]ethanamin (1S)-1-[2-[(4aS,7aS)-3,4a,5,6,7,…

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)	-0.07	4.05	-45.08	3	4	1	53	254.379	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.07	3.72	-5.44	2	4	0	51	253.371	2	↓ MOL2 SDF SMILES Flexibase

54896904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]ethanamin (1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,…

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)	-0.07	4.05	-44.97	3	4	1	53	254.379	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.07	3.71	-5.08	2	4	0	51	253.371	2	↓ MOL2 SDF SMILES Flexibase

54907027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-methyl-thiazol-5-yl (1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,…

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)	2.40	6.25	-39.77	2	4	1	42	282.433	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.40	4.96	-5.59	1	4	0	37	281.425	3	↓ MOL2 SDF SMILES Flexibase

54907029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-methyl-thiazol-5-yl (1R)-1-[2-[(4aS,7aR)-3,4a,5,6,7,…

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)	2.40	6.05	-39.83	2	4	1	42	282.433	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.40	4.77	-5.76	1	4	0	37	281.425	3	↓ MOL2 SDF SMILES Flexibase

54907032

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-methyl-thiazol-5-yl (1S)-1-[2-[(4aS,7aS)-3,4a,5,6,7,…

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)	2.78	7.08	-38.26	2	4	1	42	296.46	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.78	5.89	-5.45	1	4	0	37	295.452	4	↓ MOL2 SDF SMILES Flexibase

54907034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-methyl-thiazol-5-yl (1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,…

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)	2.78	7.1	-38.22	2	4	1	42	296.46	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.78	5.88	-4.72	1	4	0	37	295.452	4	↓ MOL2 SDF SMILES Flexibase

54907036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-methyl-thiazol-5 N-[(1S)-1-[2-[(4aS,7aS)-3,4a,5,6…

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)	3.28	7.84	-38.8	2	4	1	42	310.487	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.28	6.65	-5.32	1	4	0	37	309.479	5	↓ MOL2 SDF SMILES Flexibase

54907038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-methyl-thiazol-5 N-[(1R)-1-[2-[(4aS,7aS)-3,4a,5,6…

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)	3.28	7.86	-38.89	2	4	1	42	310.487	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.28	6.64	-4.61	1	4	0	37	309.479	5	↓ MOL2 SDF SMILES Flexibase

54907039

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]-N-methyl-meth 1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-he…

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)	1.62	5.25	-40.72	2	4	1	42	254.379	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.62	3.81	-5.09	1	4	0	37	253.371	3	↓ MOL2 SDF SMILES Flexibase

54907041

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]-N-methyl-meth 1-[2-[(4aS,7aR)-3,4a,5,6,7,7a-he…

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)	1.62	5.04	-40.93	2	4	1	42	254.379	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.62	3.6	-5.15	1	4	0	37	253.371	3	↓ MOL2 SDF SMILES Flexibase

54907043

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methyl]ethana N-[[2-[(4aS,7aS)-3,4a,5,6,7,7a-h…

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)	2.00	6.11	-39.91	2	4	1	42	268.406	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.00	4.75	-4.92	1	4	0	37	267.398	4	↓ MOL2 SDF SMILES Flexibase

54907045

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methyl]ethana N-[[2-[(4aS,7aR)-3,4a,5,6,7,7a-h…

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)	2.00	5.9	-40.1	2	4	1	42	268.406	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.00	4.53	-4.94	1	4	0	37	267.398	4	↓ MOL2 SDF SMILES Flexibase

54907046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methyl]propan N-[[2-[(4aS,7aS)-3,4a,5,6,7,7a-h…

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)	2.50	6.87	-40.72	2	4	1	42	282.433	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.50	5.51	-4.75	1	4	0	37	281.425	5	↓ MOL2 SDF SMILES Flexibase

54907049

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methyl]propan N-[[2-[(4aS,7aR)-3,4a,5,6,7,7a-h…

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)	2.50	6.66	-40.85	2	4	1	42	282.433	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.50	5.3	-4.78	1	4	0	37	281.425	5	↓ MOL2 SDF SMILES Flexibase

54907052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methyl]propan N-[[2-[(4aS,7aS)-3,4a,5,6,7,7a-h…

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)	2.29	6.65	-38.18	2	4	1	42	282.433	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.29	5.41	-4.83	1	4	0	37	281.425	4	↓ MOL2 SDF SMILES Flexibase

54907055

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methyl]propan N-[[2-[(4aS,7aR)-3,4a,5,6,7,7a-h…

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)	2.29	6.44	-38.31	2	4	1	42	282.433	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.29	5.21	-4.83	1	4	0	37	281.425	4	↓ MOL2 SDF SMILES Flexibase

54907062

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methyl]-2-met N-[[2-[(4aS,7aS)-3,4a,5,6,7,7a-h…

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)	2.81	7.07	-36.41	2	4	1	42	296.46	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.81	5.83	-4.58	1	4	0	37	295.452	4	↓ MOL2 SDF SMILES Flexibase

54907063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methyl]-2-met N-[[2-[(4aS,7aR)-3,4a,5,6,7,7a-h…

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)	2.81	6.86	-36.48	2	4	1	42	296.46	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.81	5.61	-4.72	1	4	0	37	295.452	4	↓ MOL2 SDF SMILES Flexibase

54907065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methyl]-2-met N-[[2-[(4aS,7aS)-3,4a,5,6,7,7a-h…

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)	2.74	7.56	-40.74	2	4	1	42	296.46	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.74	6.19	-4.64	1	4	0	37	295.452	5	↓ MOL2 SDF SMILES Flexibase

54907067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methyl]-2-met N-[[2-[(4aS,7aR)-3,4a,5,6,7,7a-h…

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)	2.74	7.35	-40.76	2	4	1	42	296.46	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.74	5.98	-4.71	1	4	0	37	295.452	5	↓ MOL2 SDF SMILES Flexibase

54907068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methyl]-2-met N-[[2-[(4aS,7aS)-3,4a,5,6,7,7a-h…

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)	1.60	5.25	-40.42	2	5	1	51	298.432	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.60	3.91	-5.96	1	5	0	47	297.424	6	↓ MOL2 SDF SMILES Flexibase

54907070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methyl]-2-met N-[[2-[(4aS,7aR)-3,4a,5,6,7,7a-h…

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)	1.60	5.04	-40.48	2	5	1	51	298.432	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.60	3.69	-6.08	1	5	0	47	297.424	6	↓ MOL2 SDF SMILES Flexibase

54907078

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]-N-methyl (1S)-1-[2-[(4aS,7aS)-3,4a,5,6,7,…

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)	2.18	5.8	-39.74	2	4	1	42	268.406	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.18	4.52	-4.46	1	4	0	37	267.398	3	↓ MOL2 SDF SMILES Flexibase

54907081

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]-N-methyl (1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,…

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)	2.18	5.8	-39.61	2	4	1	42	268.406	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.18	4.53	-5.25	1	4	0	37	267.398	3	↓ MOL2 SDF SMILES Flexibase

54907083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]-N-ethyl- (1S)-1-[2-[(4aS,7aS)-3,4a,5,6,7,…

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)	2.56	6.64	-38.34	2	4	1	42	282.433	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.56	5.47	-5.03	1	4	0	37	281.425	4	↓ MOL2 SDF SMILES Flexibase

54907085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]-N-ethyl- (1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,…

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)	2.56	6.64	-38.19	2	4	1	42	282.433	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.56	5.44	-4.22	1	4	0	37	281.425	4	↓ MOL2 SDF SMILES Flexibase

54907087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]ethyl] N-[(1S)-1-[2-[(4aS,7aS)-3,4a,5,6…

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)	3.06	7.4	-39.07	2	4	1	42	296.46	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.06	6.23	-4.88	1	4	0	37	295.452	5	↓ MOL2 SDF SMILES Flexibase

54907089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]ethyl] N-[(1R)-1-[2-[(4aS,7aS)-3,4a,5,6…

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)	3.06	7.39	-38.96	2	4	1	42	296.46	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.06	6.2	-4.1	1	4	0	37	295.452	5	↓ MOL2 SDF SMILES Flexibase

54909961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazole-5-carboxylic 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexah…

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)	1.63	5.95	-49.78	0	5	-1	65	253.303	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.63	5.54	-40.08	1	5	0	67	254.311	2	↓ MOL2 SDF SMILES Flexibase

54909962

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazole-5-carboxylic 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexah…

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)	1.63	5.7	-49.44	0	5	-1	65	253.303	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.63	6.14	-38.95	1	5	0	67	254.311	2	↓ MOL2 SDF SMILES Flexibase

54927702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-methyl-thiazol-5-yl (1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,…

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)	1.85	3.91	-7.66	1	4	0	46	268.382	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.85	3.52	-24.92	2	4	1	47	269.39	2	↓ MOL2 SDF SMILES Flexibase

54927703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-methyl-thiazol-5-yl (1R)-1-[2-[(4aS,7aR)-3,4a,5,6,7,…

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)	1.85	3.72	-7.82	1	4	0	46	268.382	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.85	4.12	-25.23	2	4	1	47	269.39	2	↓ MOL2 SDF SMILES Flexibase

54927706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methanol [2-[(4aS,7aS)-3,4a,5,6,7,7a-hexa…

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)	1.40	2.64	-7.57	1	4	0	46	240.328	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.40	2.27	-27.15	2	4	1	47	241.336	2	↓ MOL2 SDF SMILES Flexibase

54927707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]methanol [2-[(4aS,7aR)-3,4a,5,6,7,7a-hexa…

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)	1.40	2.43	-7.66	1	4	0	46	240.328	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.40	2.88	-27.58	2	4	1	47	241.336	2	↓ MOL2 SDF SMILES Flexibase

54927710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]ethanol (1S)-1-[2-[(4aS,7aS)-3,4a,5,6,7,…

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)	1.62	3.44	-7.21	1	4	0	46	254.355	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.62	3.08	-27.82	2	4	1	47	255.363	2	↓ MOL2 SDF SMILES Flexibase

54927711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]thiazol-5-yl]ethanol (1R)-1-[2-[(4aS,7aS)-3,4a,5,6,7,…

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)	1.62	3.43	-7.21	1	4	0	46	254.355	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.62	3.05	-27.81	2	4	1	47	255.363	2	↓ MOL2 SDF SMILES Flexibase

54966877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-methyl-thiazole-5-carbaldeh 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexah…

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)	2.07	5.57	-9.35	0	4	0	42	252.339	2	↓ MOL2 SDF SMILES Flexibase

54966878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-methyl-thiazole-5-carbaldeh 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexah…

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)	2.07	5.4	-9.05	0	4	0	42	252.339	2	↓ MOL2 SDF SMILES Flexibase

54967569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-ethyl-thiazole-5-carbaldehy 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexah…

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)	2.64	6.3	-8.84	0	4	0	42	266.366	3	↓ MOL2 SDF SMILES Flexibase

54967570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-ethyl-thiazole-5-carbaldehy 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexah…

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)	2.64	6.13	-8.56	0	4	0	42	266.366	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 157593
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 = 157593 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=157593&filter.purchasability=annotated

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": "157593"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations