ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

13683903

Analogs

41652846
41652852
41654550
41654556
41657736

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-fluorophenyl)methylene]-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[5,4-f][1,3] (2Z)-2-[(3-fluorophenyl)methylen…

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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)	3.36	7.12	-9.9	0	5	0	52	381.403	3	↓ MOL2 SDF SMILES Flexibase

13683907

Analogs

41654550
41654556
41657794
41657800
41658033

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-fluorophenyl)methylene]-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[5,4-f][1,3] (2Z)-2-[(3-fluorophenyl)methylen…

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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)	3.36	7.02	-9.82	0	5	0	52	381.403	3	↓ MOL2 SDF SMILES Flexibase

62993097

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydr (2Z)-2-[[4-(diethylamino)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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	10.06	-52.33	1	6	56	449.571	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.45	10	-11.33	0	6	55	448.563	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.45	12.91	-107.72	2	6	58	450.579	6	↓ MOL2 SDF SMILES Flexibase

62993098

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydr (2Z)-2-[[4-(diethylamino)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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	10	-51.45	1	6	56	449.571	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.45	9.89	-11.02	0	6	55	448.563	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.45	12.92	-105.81	2	6	58	450.579	6	↓ MOL2 SDF SMILES Flexibase

62993137

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2,3 (2Z)-2-[[4-(diethylamino)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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.08	9.41	-53.47	1	6	56	435.544	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.08	9.34	-11.26	0	6	55	434.536	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.08	12.24	-115.49	2	6	58	436.552	6	↓ MOL2 SDF SMILES Flexibase

62993138

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2,3 (2Z)-2-[[4-(diethylamino)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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.08	9.35	-52.51	1	6	56	435.544	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.08	9.25	-11.07	0	6	55	434.536	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.08	12.26	-113.57	2	6	58	436.552	6	↓ MOL2 SDF SMILES Flexibase

41644312

Analogs

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Popular Name: (2Z)-4-methyl-2-(p-tolylmethylene)-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2,3-f][1,3] (2Z)-4-methyl-2-(p-tolylmethylen…

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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)	4.05	8.38	-10.29	0	5	0	52	391.467	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.05	11.17	-45.25	1	5	1	53	392.475	3	↓ MOL2 SDF SMILES Flexibase

41644315

Analogs

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Popular Name: (2Z)-4-methyl-2-(p-tolylmethylene)-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2,3-f][1,3] (2Z)-4-methyl-2-(p-tolylmethylen…

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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)	4.05	8.28	-10.06	0	5	0	52	391.467	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.05	11.19	-45.12	1	5	1	53	392.475	3	↓ MOL2 SDF SMILES Flexibase

41644428

Analogs

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2, (2Z)-2-[(4-fluorophenyl)methylen…

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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)	3.76	7.77	-10.13	0	5	0	52	395.43	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.76	10.57	-46.06	1	5	1	53	396.438	3	↓ MOL2 SDF SMILES Flexibase

41644431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2, (2Z)-2-[(4-fluorophenyl)methylen…

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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)	3.76	7.68	-10.02	0	5	0	52	395.43	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.76	10.58	-46.06	1	5	1	53	396.438	3	↓ MOL2 SDF SMILES Flexibase

41644547

Analogs

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2, (2Z)-2-[(4-chlorophenyl)methylen…

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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)	4.28	8.22	-9.58	0	5	0	52	411.885	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.28	11.02	-45.5	1	5	1	53	412.893	3	↓ MOL2 SDF SMILES Flexibase

41644550

Analogs

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2, (2Z)-2-[(4-chlorophenyl)methylen…

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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)	4.28	8.12	-9.51	0	5	0	52	411.885	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.28	11.04	-45.55	1	5	1	53	412.893	3	↓ MOL2 SDF SMILES Flexibase

41644656

Analogs

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Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofur (2Z)-2-[(2,4-dichlorophenyl)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)	4.88	8.65	-8.54	0	5	0	52	446.33	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.88	11.43	-47.78	1	5	1	53	447.338	3	↓ MOL2 SDF SMILES Flexibase

41644659

Analogs

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Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofur (2Z)-2-[(2,4-dichlorophenyl)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)	4.88	8.55	-8.46	0	5	0	52	446.33	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.88	11.46	-47.84	1	5	1	53	447.338	3	↓ MOL2 SDF SMILES Flexibase

41644770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2, (2Z)-2-[(2-chlorophenyl)methylen…

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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)	4.23	8.15	-10.32	0	5	0	52	411.885	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.23	10.93	-48.3	1	5	1	53	412.893	3	↓ MOL2 SDF SMILES Flexibase

41644773

Analogs

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Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2, (2Z)-2-[(2-chlorophenyl)methylen…

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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)	4.23	8.04	-10.07	0	5	0	52	411.885	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.23	10.93	-48.35	1	5	1	53	412.893	3	↓ MOL2 SDF SMILES Flexibase

41644888

Analogs

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Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2, (2Z)-2-[(2-fluorophenyl)methylen…

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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)	3.71	7.76	-10.87	0	5	0	52	395.43	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.71	10.54	-49.17	1	5	1	53	396.438	3	↓ MOL2 SDF SMILES Flexibase

41644891

Analogs

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Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2, (2Z)-2-[(2-fluorophenyl)methylen…

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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)	3.71	7.65	-10.64	0	5	0	52	395.43	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.71	10.56	-49.23	1	5	1	53	396.438	3	↓ MOL2 SDF SMILES Flexibase

41645004

Analogs

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Popular Name: (2Z)-2-[(2-methoxyphenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2 (2Z)-2-[(2-methoxyphenyl)methyle…

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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)	3.61	7.08	-11.82	0	6	0	61	407.466	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.61	9.86	-47.76	1	6	1	62	408.474	4	↓ MOL2 SDF SMILES Flexibase

41645007

Analogs

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Popular Name: (2Z)-2-[(2-methoxyphenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2 (2Z)-2-[(2-methoxyphenyl)methyle…

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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)	3.61	6.96	-11.62	0	6	0	61	407.466	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.61	9.87	-47.6	1	6	1	62	408.474	4	↓ MOL2 SDF SMILES Flexibase

41645434

Analogs

12442655
12442657

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Popular Name: (2Z)-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydr (2Z)-4-methyl-8-[[(2S)-tetrahydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	6.81	-14.14	0	8	0	80	467.518	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.23	9.53	-52.09	1	8	1	81	468.526	6	↓ MOL2 SDF SMILES Flexibase

41645437

Analogs

12442655
12442657

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Popular Name: (2Z)-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydr (2Z)-4-methyl-8-[[(2R)-tetrahydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	6.75	-14.18	0	8	0	80	467.518	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.23	9.66	-52.73	1	8	1	81	468.526	6	↓ MOL2 SDF SMILES Flexibase

41645551

Analogs

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihy (2Z)-2-[(2-chloro-6-fluoro-pheny…

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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)	4.34	8.17	-11.8	0	5	0	52	429.875	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.34	11.02	-44.5	1	5	1	53	430.883	3	↓ MOL2 SDF SMILES Flexibase

41645554

Analogs

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihy (2Z)-2-[(2-chloro-6-fluoro-pheny…

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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)	4.34	8.1	-11.54	0	5	0	52	429.875	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.34	11.01	-44.05	1	5	1	53	430.883	3	↓ MOL2 SDF SMILES Flexibase

41645665

Analogs

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Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofu (2Z)-2-[(2,4-dimethoxyphenyl)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)	3.64	6.37	-12.33	0	7	0	70	437.492	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.64	9.16	-49.61	1	7	1	72	438.5	5	↓ MOL2 SDF SMILES Flexibase

41645668

Analogs

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Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofu (2Z)-2-[(2,4-dimethoxyphenyl)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)	3.64	6.25	-12.09	0	7	0	70	437.492	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.64	9.17	-49.57	1	7	1	72	438.5	5	↓ MOL2 SDF SMILES Flexibase

41645777

Analogs

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Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofu (2Z)-2-[(2,5-dimethoxyphenyl)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)	3.64	6.36	-12.81	0	7	0	70	437.492	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.64	9.14	-44.91	1	7	1	72	438.5	5	↓ MOL2 SDF SMILES Flexibase

41645780

Analogs

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Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofu (2Z)-2-[(2,5-dimethoxyphenyl)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)	3.64	6.25	-12.58	0	7	0	70	437.492	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.64	9.17	-44.51	1	7	1	72	438.5	5	↓ MOL2 SDF SMILES Flexibase

41645894

Analogs

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Popular Name: (2Z)-2-[(4-isopropylphenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro (2Z)-2-[(4-isopropylphenyl)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)	5.11	9.62	-9.87	0	5	0	52	419.521	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.11	12.42	-45.22	1	5	1	53	420.529	4	↓ MOL2 SDF SMILES Flexibase

41645897

Analogs

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Popular Name: (2Z)-2-[(4-isopropylphenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro (2Z)-2-[(4-isopropylphenyl)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)	5.11	9.52	-9.72	0	5	0	52	419.521	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.11	12.43	-45.15	1	5	1	53	420.529	4	↓ MOL2 SDF SMILES Flexibase

41646006

Analogs

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Popular Name: (2Z)-4-methyl-2-[(3-nitrophenyl)methylene]-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2,3 (2Z)-4-methyl-2-[(3-nitrophenyl)…

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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)	3.53	8.4	-12.56	0	8	0	98	422.437	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.53	11.21	-55.01	1	8	1	99	423.445	4	↓ MOL2 SDF SMILES Flexibase

41646009

Analogs

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Popular Name: (2Z)-4-methyl-2-[(3-nitrophenyl)methylene]-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2,3 (2Z)-4-methyl-2-[(3-nitrophenyl)…

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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)	3.53	8.32	-12.63	0	8	0	98	422.437	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.53	11.23	-55.33	1	8	1	99	423.445	4	↓ MOL2 SDF SMILES Flexibase

41646118

Analogs

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Popular Name: methyl 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)	3.77	8.34	-12.4	0	7	0	78	435.476	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.77	11.14	-46.98	1	7	1	79	436.484	5	↓ MOL2 SDF SMILES Flexibase

41646120

Analogs

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Popular Name: methyl 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)	3.77	8.24	-12.42	0	7	0	78	435.476	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.77	11.16	-46.82	1	7	1	79	436.484	5	↓ MOL2 SDF SMILES Flexibase

41646224

Analogs

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Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofur (2Z)-2-[(2,6-dichlorophenyl)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)	4.86	8.55	-10.65	0	5	0	52	446.33	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.86	11.4	-43.74	1	5	1	53	447.338	3	↓ MOL2 SDF SMILES Flexibase

41646227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofur (2Z)-2-[(2,6-dichlorophenyl)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)	4.86	8.48	-10.46	0	5	0	52	446.33	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.86	11.39	-43.3	1	5	1	53	447.338	3	↓ MOL2 SDF SMILES Flexibase

41646342

Analogs

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Popular Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2, (2Z)-2-[(4-ethoxyphenyl)methylen…

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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)	4.03	7.94	-11.13	0	6	0	61	421.493	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.03	10.74	-47.51	1	6	1	62	422.501	5	↓ MOL2 SDF SMILES Flexibase

41646345

Analogs

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Popular Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2, (2Z)-2-[(4-ethoxyphenyl)methylen…

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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)	4.03	7.84	-10.98	0	6	0	61	421.493	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.03	10.75	-47.55	1	6	1	62	422.501	5	↓ MOL2 SDF SMILES Flexibase

41646462

Analogs

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Popular Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2, (2Z)-2-[(2-ethoxyphenyl)methylen…

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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)	3.98	8.02	-11.52	0	6	0	61	421.493	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.98	10.79	-47.34	1	6	1	62	422.501	5	↓ MOL2 SDF SMILES Flexibase

41646465

Analogs

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Popular Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2, (2Z)-2-[(2-ethoxyphenyl)methylen…

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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)	3.98	7.91	-11.36	0	6	0	61	421.493	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.98	10.82	-47.32	1	6	1	62	422.501	5	↓ MOL2 SDF SMILES Flexibase

41646692

Analogs

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Popular Name: (2Z)-2-[(4-methoxyphenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2 (2Z)-2-[(4-methoxyphenyl)methyle…

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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)	3.65	7.02	-11.37	0	6	0	61	407.466	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.65	9.82	-47.51	1	6	1	62	408.474	4	↓ MOL2 SDF SMILES Flexibase

41646695

Analogs

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Popular Name: (2Z)-2-[(4-methoxyphenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2 (2Z)-2-[(4-methoxyphenyl)methyle…

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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)	3.65	6.92	-11.2	0	6	0	61	407.466	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.65	9.82	-47.55	1	6	1	62	408.474	4	↓ MOL2 SDF SMILES Flexibase

41646805

Analogs

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Popular Name: (2Z)-2-[(3-methoxyphenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2 (2Z)-2-[(3-methoxyphenyl)methyle…

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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)	3.63	7	-12.14	0	6	0	61	407.466	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.63	9.8	-43.07	1	6	1	62	408.474	4	↓ MOL2 SDF SMILES Flexibase

41646808

Analogs

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Popular Name: (2Z)-2-[(3-methoxyphenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2 (2Z)-2-[(3-methoxyphenyl)methyle…

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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)	3.63	6.9	-11.82	0	6	0	61	407.466	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.63	9.81	-42.63	1	6	1	62	408.474	4	↓ MOL2 SDF SMILES Flexibase

41646922

Analogs

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Popular Name: (2Z)-2-benzylidene-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-2-benzylidene-4-methyl-8-[[…

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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)	3.60	7.7	-10.23	0	5	0	52	377.44	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.60	10.5	-45.29	1	5	1	53	378.448	3	↓ MOL2 SDF SMILES Flexibase

41646925

Analogs

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Popular Name: (2Z)-2-benzylidene-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-2-benzylidene-4-methyl-8-[[…

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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)	3.60	7.6	-10.12	0	5	0	52	377.44	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.60	10.51	-45.19	1	5	1	53	378.448	3	↓ MOL2 SDF SMILES Flexibase

41647022

Analogs

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Popular Name: (2Z)-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-[(2,4,5-trimethoxyphenyl)methylene]-7,9-dihydr (2Z)-4-methyl-8-[[(2S)-tetrahydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	6.26	-14.33	0	8	0	80	467.518	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.23	9.12	-50.74	1	8	1	81	468.526	6	↓ MOL2 SDF SMILES Flexibase

41647025

Analogs

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Popular Name: (2Z)-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-[(2,4,5-trimethoxyphenyl)methylene]-7,9-dihydr (2Z)-4-methyl-8-[[(2R)-tetrahydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	6.13	-14.13	0	8	0	80	467.518	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.23	9.05	-50.96	1	8	1	81	468.526	6	↓ MOL2 SDF SMILES Flexibase

41647106

Analogs

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Popular Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-4-methyl-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihy (2Z)-2-[(5-bromo-2-methoxy-pheny…

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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)	4.39	7.7	-10.79	0	6	0	61	486.362	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.39	10.47	-43.84	1	6	1	62	487.37	4	↓ MOL2 SDF SMILES Flexibase

41647108

Analogs

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Popular Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihy (2Z)-2-[(5-bromo-2-methoxy-pheny…

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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)	4.39	7.58	-10.75	0	6	0	61	486.362	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.39	10.51	-43.36	1	6	1	62	487.37	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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<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', {
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