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ZINC Item

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62993071

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-8-(p-tolylmethyl)-7,9-dihydrofuro[2,3-f][1,3]ben (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)	5.93	13.28	-48.8	1	5	47	469.605	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.93	13.17	-9.43	0	5	46	468.597	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.93	16.14	-105.76	2	5	48	470.613	6	↓ MOL2 SDF SMILES Flexibase

62993073

Analogs

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Popular Name: (2Z)-8-[(2-chlorophenyl)methyl]-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-7,9-dihydrofuro[2,3-f (2Z)-8-[(2-chlorophenyl)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)	6.11	13.2	-47.11	1	5	0	47	490.023	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.11	13.1	-10.49	0	5	0	46	489.015	6	↓ MOL2 SDF SMILES Flexibase

62993075

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[(4-fluorophenyl)methyl]-4-methyl-7,9-dihydrofuro[2,3-f (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)	5.64	12.67	-50.04	1	5	47	473.568	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.64	12.56	-10.66	0	5	46	472.56	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.64	15.52	-114.61	2	5	48	474.576	6	↓ MOL2 SDF SMILES Flexibase

62993076

Analogs

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Popular Name: (2Z)-8-[(4-chlorophenyl)methyl]-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-7,9-dihydrofuro[2,3-f (2Z)-8-[(4-chlorophenyl)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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.16	13.13	-49.35	1	5	47	490.023	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.16	13.02	-10.03	0	5	46	489.015	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.16	15.98	-110.38	2	5	48	491.031	6	↓ MOL2 SDF SMILES Flexibase

62993077

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[(3,4-dimethoxyphenyl)methyl]-4-methyl-7,9-dihydrofuro[ (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)	5.12	11.8	-50.38	1	7	66	515.63	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.12	11.69	-13.46	0	7	64	514.622	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.12	14.67	-112.11	2	7	67	516.638	8	↓ MOL2 SDF SMILES Flexibase

62993081

Analogs

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Popular Name: (2Z)-8-[(2,4-dichlorophenyl)methyl]-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-7,9-dihydrofuro[2 (2Z)-8-[(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)	6.76	13.62	-49.77	1	5	0	47	524.468	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.76	13.61	-10.76	0	5	0	46	523.46	6	↓ MOL2 SDF SMILES Flexibase

62993082

Analogs

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Popular Name: (2Z)-8-[(3,4-dichlorophenyl)methyl]-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-7,9-dihydrofuro[2 (2Z)-8-[(3,4-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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.76	13.57	-49.97	1	5	47	524.468	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.76	13.48	-10.64	0	5	46	523.46	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.76	16.43	-116.07	2	5	48	525.476	6	↓ MOL2 SDF SMILES Flexibase

62993084

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-8-[(1S)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1, (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	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.04	13.66	-48.29	1	5	0	47	469.605	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.04	13.56	-8.52	0	5	0	46	468.597	6	↓ MOL2 SDF SMILES Flexibase

62993085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-8-[(1R)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1, (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	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.04	13.59	-50.37	1	5	0	47	469.605	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.04	13.29	-9.42	0	5	0	46	468.597	6	↓ MOL2 SDF SMILES Flexibase

62993095

Analogs

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Popular Name: (2Z)-8-benzyl-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3 (2Z)-8-benzyl-2-[[4-(diethylamin…

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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)	5.48	12.61	-48.79	1	5	47	455.578	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.48	12.5	-9.39	0	5	46	454.57	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.48	15.46	-105.88	2	5	48	456.586	6	↓ MOL2 SDF SMILES Flexibase

62993105

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[(4-methoxyphenyl)methyl]-4-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)	5.53	11.9	-50.44	1	6	56	485.604	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.53	11.79	-11.15	0	6	55	484.596	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.53	14.76	-109.02	2	6	58	486.612	7	↓ MOL2 SDF SMILES Flexibase

62993107

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[(2-methoxyphenyl)methyl]-4-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)	5.49	11.95	-50.06	1	6	56	485.604	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.49	11.93	-10.8	0	6	55	484.596	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.49	14.94	-105.77	2	6	58	486.612	7	↓ MOL2 SDF SMILES Flexibase

62993110

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-(p-tolylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-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	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.55	12.63	-49.89	1	5	0	47	455.578	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.55	12.52	-9.51	0	5	0	46	454.57	6	↓ MOL2 SDF SMILES Flexibase

62993112

Analogs

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Popular Name: (2Z)-8-[(2-chlorophenyl)methyl]-2-[[4-(diethylamino)phenyl]methylene]-7,9-dihydrofuro[2,3-f][1,3]ben (2Z)-8-[(2-chlorophenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.73	12.55	-48.2	1	5	0	47	475.996	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.73	12.45	-10.48	0	5	0	46	474.988	6	↓ MOL2 SDF SMILES Flexibase

62993114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[(4-fluorophenyl)methyl]-7,9-dihydrofuro[2,3-f][1,3]ben (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	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.26	12.03	-48.84	1	5	0	47	459.541	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.26	11.92	-10.76	0	5	0	46	458.533	6	↓ MOL2 SDF SMILES Flexibase

62993115

Analogs

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Popular Name: (2Z)-8-[(4-chlorophenyl)methyl]-2-[[4-(diethylamino)phenyl]methylene]-7,9-dihydrofuro[2,3-f][1,3]ben (2Z)-8-[(4-chlorophenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.78	12.48	-48.19	1	5	0	47	475.996	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.78	12.38	-10.04	0	5	0	46	474.988	6	↓ MOL2 SDF SMILES Flexibase

62993116

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[(3,4-dimethoxyphenyl)methyl]-7,9-dihydrofuro[2,3-f][1, (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	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.75	11.14	-54.05	1	7	0	66	501.603	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.75	11.04	-13.47	0	7	0	64	500.595	8	↓ MOL2 SDF SMILES Flexibase

62993120

Analogs

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Popular Name: (2Z)-8-[(2,4-dichlorophenyl)methyl]-2-[[4-(diethylamino)phenyl]methylene]-7,9-dihydrofuro[2,3-f][1,3 (2Z)-8-[(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)	6.38	12.97	-50.88	1	5	0	47	510.441	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.38	12.96	-10.84	0	5	0	46	509.433	6	↓ MOL2 SDF SMILES Flexibase

62993121

Analogs

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Popular Name: (2Z)-8-[(3,4-dichlorophenyl)methyl]-2-[[4-(diethylamino)phenyl]methylene]-7,9-dihydrofuro[2,3-f][1,3 (2Z)-8-[(3,4-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)	6.38	12.92	-51.33	1	5	0	47	510.441	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.38	12.82	-10.69	0	5	0	46	509.433	6	↓ MOL2 SDF SMILES Flexibase

62993124

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[(1S)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (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	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.66	13.01	-46.99	1	5	0	47	455.578	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.66	12.91	-8.56	0	5	0	46	454.57	6	↓ MOL2 SDF SMILES Flexibase

62993125

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[(1R)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (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	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.66	12.74	-49.64	1	5	0	47	455.578	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.66	12.65	-9.43	0	5	0	46	454.57	6	↓ MOL2 SDF SMILES Flexibase

62993135

Analogs

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Popular Name: (2Z)-8-benzyl-2-[[4-(diethylamino)phenyl]methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-benzyl-2-[[4-(diethylamin…

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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)	5.10	11.96	-47.47	1	5	0	47	441.551	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.10	11.86	-9.4	0	5	0	46	440.543	6	↓ MOL2 SDF SMILES Flexibase

62993145

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[(4-methoxyphenyl)methyl]-7,9-dihydrofuro[2,3-f][1,3]be (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	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.16	11.24	-51.69	1	6	0	56	471.577	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.16	11.14	-11.23	0	6	0	55	470.569	7	↓ MOL2 SDF SMILES Flexibase

62993147

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[(2-methoxyphenyl)methyl]-7,9-dihydrofuro[2,3-f][1,3]be (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	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.11	11.3	-51.1	1	6	0	56	471.577	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.11	11.28	-10.81	0	6	0	55	470.569	7	↓ MOL2 SDF SMILES Flexibase

41644235

Analogs

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Popular Name: (2Z)-4-methyl-8-(p-tolylmethyl)-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-4-methyl-8-(p-tolylmethyl)-…

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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)	5.52	11.55	-8.5	0	4	0	43	411.501	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.52	14.4	-48.48	1	4	1	44	412.509	3	↓ MOL2 SDF SMILES Flexibase

41644241

Analogs

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Popular Name: (2Z)-8-[(2-chlorophenyl)methyl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-[(2-chlorophenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.70	11.47	-9.57	0	4	0	43	431.919	3	↓ MOL2 SDF SMILES Flexibase

41644247

Analogs

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Popular Name: (2Z)-8-[(4-fluorophenyl)methyl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-[(4-fluorophenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.24	10.95	-9.8	0	4	0	43	415.464	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.24	13.8	-55.24	1	4	1	44	416.472	3	↓ MOL2 SDF SMILES Flexibase

41644250

Analogs

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Popular Name: (2Z)-8-[(4-chlorophenyl)methyl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-[(4-chlorophenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.75	11.4	-9.12	0	4	0	43	431.919	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.75	14.25	-54.14	1	4	1	44	432.927	3	↓ MOL2 SDF SMILES Flexibase

41644253

Analogs

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Popular Name: (2Z)-8-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-8-[(3,4-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)	4.72	10.07	-12.55	0	6	0	61	457.526	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.72	12.94	-56.12	1	6	1	62	458.534	5	↓ MOL2 SDF SMILES Flexibase

41644265

Analogs

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Popular Name: (2Z)-8-[(2,4-dichlorophenyl)methyl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-[(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)	6.36	11.98	-9.9	0	4	0	43	466.364	3	↓ MOL2 SDF SMILES Flexibase

41644268

Analogs

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Popular Name: (2Z)-8-[(3,4-dichlorophenyl)methyl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-[(3,4-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)	6.36	11.85	-9.7	0	4	0	43	466.364	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.36	14.71	-57.47	1	4	1	44	467.372	3	↓ MOL2 SDF SMILES Flexibase

41644275

Analogs

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Popular Name: (2Z)-4-methyl-8-[(1S)-1-phenylethyl]-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-4-methyl-8-[(1S)-1-phenylet…

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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)	5.63	11.93	-7.57	0	4	0	43	411.501	3	↓ MOL2 SDF SMILES Flexibase

41644278

Analogs

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Popular Name: (2Z)-4-methyl-8-[(1R)-1-phenylethyl]-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-4-methyl-8-[(1R)-1-phenylet…

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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)	5.63	11.66	-8.39	0	4	0	43	411.501	3	↓ MOL2 SDF SMILES Flexibase

41644307

Analogs

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Popular Name: (2Z)-8-benzyl-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-benzyl-4-methyl-2-(p-toly…

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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)	5.07	10.88	-8.48	0	4	0	43	397.474	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.07	13.73	-48.46	1	4	1	44	398.482	3	↓ MOL2 SDF SMILES Flexibase

41644336

Analogs

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Popular Name: (2Z)-8-[(4-methoxyphenyl)methyl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-8-[(4-methoxyphenyl)methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.13	10.17	-10.21	0	5	0	52	427.5	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.13	13.03	-52.06	1	5	1	53	428.508	4	↓ MOL2 SDF SMILES Flexibase

41644342

Analogs

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Popular Name: (2Z)-8-[(2-methoxyphenyl)methyl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-8-[(2-methoxyphenyl)methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.08	10.31	-9.86	0	5	0	52	427.5	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.08	13.17	-44.06	1	5	1	53	428.508	4	↓ MOL2 SDF SMILES Flexibase

41644350

Analogs

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-4-methyl-8-(p-tolylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (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)	5.24	10.94	-8.59	0	4	0	43	415.464	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.24	13.79	-49.6	1	4	1	44	416.472	3	↓ MOL2 SDF SMILES Flexibase

41644356

Analogs

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Popular Name: (2Z)-8-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-8-[(2-chlorophenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.42	10.87	-9.65	0	4	0	43	435.882	3	↓ MOL2 SDF SMILES Flexibase

41644361

Analogs

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Popular Name: (2Z)-8-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-8-[(4-fluorophenyl)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)	4.95	10.36	-9.9	0	4	0	43	419.427	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.95	13.19	-56.32	1	4	1	44	420.435	3	↓ MOL2 SDF SMILES Flexibase

41644364

Analogs

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Popular Name: (2Z)-8-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-8-[(4-chlorophenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.46	10.81	-9.29	0	4	0	43	435.882	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.46	13.64	-55.3	1	4	1	44	436.89	3	↓ MOL2 SDF SMILES Flexibase

41644367

Analogs

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Popular Name: (2Z)-8-[(3,4-dimethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1 (2Z)-8-[(3,4-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)	4.43	9.48	-12.65	0	6	0	61	461.489	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.43	12.33	-57.23	1	6	1	62	462.497	5	↓ MOL2 SDF SMILES Flexibase

41644378

Analogs

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Popular Name: (2Z)-8-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-8-[(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)	6.07	11.38	-10.05	0	4	0	43	470.327	3	↓ MOL2 SDF SMILES Flexibase

41644381

Analogs

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Popular Name: (2Z)-8-[(3,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-8-[(3,4-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)	6.07	11.26	-9.87	0	4	0	43	470.327	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.07	14.1	-58.63	1	4	1	44	471.335	3	↓ MOL2 SDF SMILES Flexibase

41644390

Analogs

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-4-methyl-8-[(1S)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]benzox (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)	5.34	11.34	-7.68	0	4	0	43	415.464	3	↓ MOL2 SDF SMILES Flexibase

41644393

Analogs

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-4-methyl-8-[(1R)-1-phenylethyl]-7,9-dihydrofuro[2,3-f][1,3]benzox (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)	5.34	11.12	-8.24	0	4	0	43	415.464	3	↓ MOL2 SDF SMILES Flexibase

41644422

Analogs

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Popular Name: (2Z)-8-benzyl-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-benzyl-2-[(4-fluorophenyl…

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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)	4.79	10.29	-8.6	0	4	0	43	401.437	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.79	13.12	-49.53	1	4	1	44	402.445	3	↓ MOL2 SDF SMILES Flexibase

41644452

Analogs

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-8-[(4-methoxyphenyl)methyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]b (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)	4.84	9.58	-10.39	0	5	0	52	431.463	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.84	12.42	-53.14	1	5	1	53	432.471	4	↓ MOL2 SDF SMILES Flexibase

41644458

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-8-[(2-methoxyphenyl)methyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]b (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)	4.80	9.74	-9.93	0	5	0	52	431.463	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.80	12.57	-45.05	1	5	1	53	432.471	4	↓ MOL2 SDF SMILES Flexibase

41644467

Analogs

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-4-methyl-8-(p-tolylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (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)	5.75	11.39	-8.09	0	4	0	43	431.919	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.75	14.24	-49.06	1	4	1	44	432.927	3	↓ MOL2 SDF SMILES Flexibase

41644473

Analogs

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Popular Name: (2Z)-8-[(2-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-8-[(2-chlorophenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.93	11.34	-9.13	0	4	0	43	452.337	3	↓ 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

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 = 329203 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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', {
        "ring.id": "329203"        

    });
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