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ZINC Item

Suppliers, Protomers, & Similar Substances

5562128

Analogs

8721906

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(1-ethylpropyl)-5-imino-4-[(3,4,5-trimethoxyphenyl)methylene]-9-thia-2,6,7-triazabicyclo[4.3.0]non 8-(1-ethylpropyl)-5-imino-4-[(3,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.41	6.54	-13.98	1	8	0	99	416.503	7	↓ MOL2 SDF SMILES Flexibase

5563103

Analogs

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Popular Name: 8-(1-ethylpropyl)-5-imino-4-[(4-isopropylphenyl)methylene]-9-thia-2,6,7-triazabicyclo[4.3.0]nona-1,7 8-(1-ethylpropyl)-5-imino-4-[(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	-0.46	-10.44	1	5	0	71	368.506	5	↓ MOL2 SDF SMILES Flexibase

33445431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-6-(4-(2-((4-chlorophenyl)thio)ethoxy)benzylidene)-5-imino-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(4-(2-((4-chlorophenyl)thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.90	11.51	-13.94	1	6	0	80	485.034	8	↓ MOL2 SDF SMILES Flexibase

33446042

Analogs

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Popular Name: (Z)-6-((1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(2,5-dimethoxyphenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	9.06	-17.81	1	8	0	95	451.552	5	↓ MOL2 SDF SMILES Flexibase

20118751

Analogs

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Popular Name: (Z)-6-((2,5-dimethyl-1H-indol-3-yl)methylene)-2-(furan-2-yl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((2,5-dimethyl-1H-indol-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.18	7.04	-13.94	2	7	0	100	389.44	2	↓ MOL2 SDF SMILES Flexibase

20119463

Analogs

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Popular Name: (6E)-6-[(3-allyl-4-hydroxy-5-methoxy-phenyl)methylene]-5-imino-2-(m-tolyl)-[1,3,4]thiadiazolo[3,2-a] (6E)-6-[(3-allyl-4-hydroxy-5-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	7.55	-13.87	2	7	0	101	432.505	5	↓ MOL2 SDF SMILES Flexibase

11536112

Analogs

16266588
33458132

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-2-cyclohexyl-5-imino-6-(thiophen-2-ylmethylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-2-cyclohexyl-5-imino-6-(thio…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.84	7.37	-11.92	1	5	0	71	344.465	2	↓ MOL2 SDF SMILES Flexibase

19996839

Analogs

5091240

Draw Identity 99% 90% 80% 70%

Popular Name: (6E)-2-ethyl-5-imino-6-(1H-indol-3-ylmethylene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6E)-2-ethyl-5-imino-6-(1H-indol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.76	5.58	-14.9	2	6	0	87	323.381	2	↓ MOL2 SDF SMILES Flexibase

20235148

Analogs

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Popular Name: N-[4-[2-[2-ethoxy-4-[(E)-(5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenoxy] N-[4-[2-[2-ethoxy-4-[(E)-(5-imin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.24	6.7	-26.89	2	10	0	128	493.545	9	↓ MOL2 SDF SMILES Flexibase

20235153

Analogs

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Popular Name: N-[4-[2-[2-ethoxy-4-[(E)-(5-imino-2-methyl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl N-[4-[2-[2-ethoxy-4-[(E)-(5-imin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.96	7.42	-25.12	2	10	0	128	507.572	9	↓ MOL2 SDF SMILES Flexibase

20235157

Analogs

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Popular Name: N-[4-[2-[4-[(E)-(5-imino-2-methyl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2,6-dim N-[4-[2-[4-[(E)-(5-imino-2-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)	0.57	6.41	-25.31	2	11	0	137	523.571	9	↓ MOL2 SDF SMILES Flexibase

20235164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-[4-[(E)-(5-imino-7-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenoxy] N-[4-[2-[4-[(E)-(5-imino-7-oxo-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	8.16	-21.81	2	9	0	119	491.573	9	↓ MOL2 SDF SMILES Flexibase

20235171

Analogs

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Popular Name: N-[4-[2-[4-[(E)-[2-(2-furyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]pheno N-[4-[2-[4-[(E)-[2-(2-furyl)-5-i…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	7.7	-22.66	2	10	0	132	515.551	8	↓ MOL2 SDF SMILES Flexibase

20235204

Analogs

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Popular Name: N-[4-[2-[4-[(E)-[5-imino-7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]meth N-[4-[2-[4-[(E)-[5-imino-7-oxo-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.90	7.03	-17.43	2	9	0	119	517.489	8	↓ MOL2 SDF SMILES Flexibase

20235394

Analogs

4524368
4873011

Draw Identity 99% 90% 80% 70%

Popular Name: (6E)-5-imino-6-(1H-indol-3-ylmethylene)-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimid (6E)-5-imino-6-(1H-indol-3-ylmet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	8.05	-16.33	2	7	0	96	415.478	4	↓ MOL2 SDF SMILES Flexibase

20238646

Analogs

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Popular Name: (6E)-6-[(5-cyclohexylsulfanyl-2-furyl)methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6E)-6-[(5-cyclohexylsulfanyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	6.78	-14.4	1	6	0	84	360.464	3	↓ MOL2 SDF SMILES Flexibase

20238648

Analogs

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Popular Name: (6E)-5-imino-6-[[5-(1-naphthylsulfanyl)-2-furyl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6E)-5-imino-6-[[5-(1-naphthylsu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	9.12	-18.68	1	6	0	84	404.476	3	↓ MOL2 SDF SMILES Flexibase

20238654

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6E)-6-[[5-(4-ethoxy-2-nitro-phenyl)-2-furyl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7 (6E)-6-[[5-(4-ethoxy-2-nitro-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.82	7.4	-23.03	1	10	0	139	411.399	5	↓ MOL2 SDF SMILES Flexibase

20238657

Analogs

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Popular Name: (6E)-5-imino-6-[[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin- (6E)-5-imino-6-[[5-(4-methoxy-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.44	6.47	-23.33	1	10	0	139	397.372	4	↓ MOL2 SDF SMILES Flexibase

20238660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6E)-5-imino-2-methyl-6-[[5-(1-naphthylsulfanyl)-2-furyl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimid (6E)-5-imino-2-methyl-6-[[5-(1-n…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.71	9.8	-17.46	1	6	0	84	418.503	3	↓ MOL2 SDF SMILES Flexibase

20238663

Analogs

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Popular Name: (6E)-6-[[5-(4-ethoxy-2-nitro-phenyl)-2-furyl]methylene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]py (6E)-6-[[5-(4-ethoxy-2-nitro-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.53	8.13	-21.16	1	10	0	139	425.426	5	↓ MOL2 SDF SMILES Flexibase

20238666

Analogs

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Popular Name: (6E)-5-imino-6-[[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methylene]-2-methyl-[1,3,4]thiadiazolo[3,2-a]p (6E)-5-imino-6-[[5-(4-methoxy-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	7.63	-22.8	1	10	0	139	411.399	4	↓ MOL2 SDF SMILES Flexibase

20238669

Analogs

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Popular Name: (6E)-6-[(5-cyclohexylsulfanyl-2-furyl)methylene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin- (6E)-6-[(5-cyclohexylsulfanyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	8.64	-14.44	1	6	0	84	388.518	4	↓ MOL2 SDF SMILES Flexibase

20238672

Analogs

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Popular Name: (6E)-2-ethyl-5-imino-6-[[5-(1-naphthylsulfanyl)-2-furyl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidi (6E)-2-ethyl-5-imino-6-[[5-(1-na…

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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)	3.28	10.64	-16.92	1	6	0	84	432.53	4	↓ MOL2 SDF SMILES Flexibase

20238678

Analogs

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Popular Name: (6E)-6-[[5-(4-ethoxy-2-nitro-phenyl)-2-furyl]methylene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyr (6E)-6-[[5-(4-ethoxy-2-nitro-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.10	9.42	-22.06	1	10	0	139	439.453	6	↓ MOL2 SDF SMILES Flexibase

20238681

Analogs

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Popular Name: (6E)-2-ethyl-5-imino-6-[[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methylene]-[1,3,4]thiadiazolo[3,2-a]py (6E)-2-ethyl-5-imino-6-[[5-(4-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.73	8.48	-22.34	1	10	0	139	425.426	5	↓ MOL2 SDF SMILES Flexibase

20238684

Analogs

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Popular Name: (6E)-5-imino-6-[[5-(1-naphthylsulfanyl)-2-furyl]methylene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimid (6E)-5-imino-6-[[5-(1-naphthylsu…

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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)	3.78	11.39	-16.39	1	6	0	84	446.557	5	↓ MOL2 SDF SMILES Flexibase

20238687

Analogs

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Popular Name: (6E)-5-imino-6-[[5-(2-methyl-5-nitro-phenyl)-2-furyl]methylene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]py (6E)-5-imino-6-[[5-(2-methyl-5-n…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.62	10.2	-17.32	1	9	0	130	423.454	5	↓ MOL2 SDF SMILES Flexibase

20238690

Analogs

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Popular Name: (6E)-6-[[5-(4-ethoxy-2-nitro-phenyl)-2-furyl]methylene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]py (6E)-6-[[5-(4-ethoxy-2-nitro-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.61	10.17	-21.54	1	10	0	139	453.48	7	↓ MOL2 SDF SMILES Flexibase

20238693

Analogs

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Popular Name: (6E)-5-imino-6-[[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methylene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]p (6E)-5-imino-6-[[5-(4-methoxy-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.23	9.24	-21.84	1	10	0	139	439.453	6	↓ MOL2 SDF SMILES Flexibase

20238699

Analogs

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Popular Name: (6E)-2-butyl-5-imino-6-[[5-(1-naphthylsulfanyl)-2-furyl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidi (6E)-2-butyl-5-imino-6-[[5-(1-na…

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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	12.17	-16.56	1	6	0	84	460.584	6	↓ MOL2 SDF SMILES Flexibase

20238703

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Popular Name: (6E)-2-butyl-5-imino-6-[[5-(2-methyl-5-nitro-phenyl)-2-furyl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyr (6E)-2-butyl-5-imino-6-[[5-(2-me…

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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)	3.18	10.98	-17.46	1	9	0	130	437.481	6	↓ MOL2 SDF SMILES Flexibase

20238706

Analogs

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Popular Name: (6E)-2-butyl-6-[[5-(4-ethoxy-2-nitro-phenyl)-2-furyl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyr (6E)-2-butyl-6-[[5-(4-ethoxy-2-n…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.17	10.94	-21.58	1	10	0	139	467.507	8	↓ MOL2 SDF SMILES Flexibase

20238709

Analogs

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Popular Name: (6E)-2-butyl-5-imino-6-[[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methylene]-[1,3,4]thiadiazolo[3,2-a]py (6E)-2-butyl-5-imino-6-[[5-(4-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.79	10.02	-21.97	1	10	0	139	453.48	7	↓ MOL2 SDF SMILES Flexibase

20238712

Analogs

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Popular Name: (6E)-6-[(5-cyclohexylsulfanyl-2-furyl)methylene]-5-imino-2-pentyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin (6E)-6-[(5-cyclohexylsulfanyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.06	11	-13.46	1	6	0	84	430.599	7	↓ MOL2 SDF SMILES Flexibase

20238715

Analogs

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Popular Name: (6E)-5-imino-6-[[5-(1-naphthylsulfanyl)-2-furyl]methylene]-2-pentyl-[1,3,4]thiadiazolo[3,2-a]pyrimid (6E)-5-imino-6-[[5-(1-naphthylsu…

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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)	4.85	12.95	-16.48	1	6	0	84	474.611	7	↓ MOL2 SDF SMILES Flexibase

20238719

Analogs

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Popular Name: (6E)-5-imino-6-[[5-(2-methyl-5-nitro-phenyl)-2-furyl]methylene]-2-pentyl-[1,3,4]thiadiazolo[3,2-a]py (6E)-5-imino-6-[[5-(2-methyl-5-n…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.69	11.76	-17.42	1	9	0	130	451.508	7	↓ MOL2 SDF SMILES Flexibase

20238722

Analogs

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Popular Name: (6E)-6-[[5-(4-ethoxy-2-nitro-phenyl)-2-furyl]methylene]-5-imino-2-pentyl-[1,3,4]thiadiazolo[3,2-a]py (6E)-6-[[5-(4-ethoxy-2-nitro-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	11.73	-21.55	1	10	0	139	481.534	9	↓ MOL2 SDF SMILES Flexibase

20238725

Analogs

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Popular Name: (6E)-5-imino-6-[[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methylene]-2-pentyl-[1,3,4]thiadiazolo[3,2-a]p (6E)-5-imino-6-[[5-(4-methoxy-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	10.8	-21.86	1	10	0	139	467.507	8	↓ MOL2 SDF SMILES Flexibase

20238728

Analogs

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Popular Name: (6E)-6-[(5-cyclohexylsulfanyl-2-furyl)methylene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin (6E)-6-[(5-cyclohexylsulfanyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.12	10.93	-13.19	1	6	0	84	436.562	4	↓ MOL2 SDF SMILES Flexibase

20238731

Analogs

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Popular Name: (6E)-5-imino-6-[[5-(1-naphthylsulfanyl)-2-furyl]methylene]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimid (6E)-5-imino-6-[[5-(1-naphthylsu…

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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)	4.91	12.78	-15.78	1	6	0	84	480.574	4	↓ MOL2 SDF SMILES Flexibase

20238734

Analogs

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Popular Name: (6E)-6-[[5-(2-furylmethylsulfanyl)-2-furyl]methylene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyri (6E)-6-[[5-(2-furylmethylsulfany…

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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)	3.07	9.68	-14.39	1	7	0	97	434.502	5	↓ MOL2 SDF SMILES Flexibase

20238737

Analogs

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Popular Name: (6E)-6-[[5-(4-ethoxy-2-nitro-phenyl)-2-furyl]methylene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]py (6E)-6-[[5-(4-ethoxy-2-nitro-phe…

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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)	3.74	11.11	-18.4	1	10	0	139	487.497	6	↓ MOL2 SDF SMILES Flexibase

20238740

Analogs

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Popular Name: (6E)-5-imino-6-[[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methylene]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]p (6E)-5-imino-6-[[5-(4-methoxy-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.36	10.18	-18.7	1	10	0	139	473.47	5	↓ MOL2 SDF SMILES Flexibase

20238743

Analogs

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Popular Name: (6E)-2-(2-chlorophenyl)-6-[[5-(2-furylmethylsulfanyl)-2-furyl]methylene]-5-imino-[1,3,4]thiadiazolo[ (6E)-2-(2-chlorophenyl)-6-[[5-(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.70	10.14	-16.75	1	7	0	97	468.947	5	↓ MOL2 SDF SMILES Flexibase

20238746

Analogs

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Popular Name: (6E)-2-(2-chlorophenyl)-5-imino-6-[[5-(2-methyl-5-nitro-phenyl)-2-furyl]methylene]-[1,3,4]thiadiazol (6E)-2-(2-chlorophenyl)-5-imino-…

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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)	4.38	12.47	-17.17	1	9	0	130	491.916	4	↓ MOL2 SDF SMILES Flexibase

20238749

Analogs

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Popular Name: (6E)-2-(2-chlorophenyl)-5-imino-6-[[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methylene]-[1,3,4]thiadiazo (6E)-2-(2-chlorophenyl)-5-imino-…

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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)	3.99	10.83	-19.78	1	10	0	139	507.915	5	↓ MOL2 SDF SMILES Flexibase

20238752

Analogs

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Popular Name: (6E)-5-imino-6-[[5-(1-naphthylsulfanyl)-2-furyl]methylene]-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2- (6E)-5-imino-6-[[5-(1-naphthylsu…

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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)	4.38	12.43	-19.32	1	7	0	93	510.6	6	↓ MOL2 SDF SMILES Flexibase

20238755

Analogs

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Popular Name: (6E)-6-[[5-(2-furylmethylsulfanyl)-2-furyl]methylene]-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3 (6E)-6-[[5-(2-furylmethylsulfany…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.54	9.32	-17.59	1	8	0	107	464.528	7	↓ MOL2 SDF SMILES Flexibase

20238758

Analogs

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Popular Name: (6E)-6-[(5-cyclohexylsulfanyl-2-furyl)methylene]-5-imino-2-(o-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimi (6E)-6-[(5-cyclohexylsulfanyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.52	11.35	-9.92	1	6	0	84	450.589	4	↓ MOL2 SDF SMILES Flexibase

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