ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

35632621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylamino)-4-[4-[2-[5-oxo-2-(trifluoromethyl)-1,6-naphthyridin-6-yl]ethyl]piperazin-1-yl]c 3-(cyclopropylamino)-4-[4-[2-[5-…

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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)	-1.75	2.69	-41.29	2	8	1	94	462.452	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.75	4.92	-120.83	3	8	2	95	463.46	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.75	5.68	-75.93	2	8	1	98	462.452	5	↓ MOL2 SDF SMILES Flexibase

17142921

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.97	2.57	-49.15	1	6	-1	95	233.203	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.43	0.52	-124.84	0	6	-2	98	232.195	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.97	1.71	-8.89	2	6	0	92	234.211	3	↓ MOL2 SDF SMILES Flexibase

36125546

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)	0.64	4.27	-12.82	0	7	0	74	331.372	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.64	6.54	-53.41	1	7	1	75	332.38	5	↓ MOL2 SDF SMILES Flexibase

36125548

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)	2.99	8.91	-8.22	0	5	0	61	342.782	4	↓ MOL2 SDF SMILES Flexibase

36125550

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)	1.61	6.92	-12.07	0	6	0	74	298.298	4	↓ MOL2 SDF SMILES Flexibase

36125552

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)	2.46	8.67	-13.51	0	5	0	61	328.393	5	↓ MOL2 SDF SMILES Flexibase

21538602

Analogs

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Popular Name: 6-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(3-pyridyl)-1,6-naphthyridine-3-carboxamide 6-[(4-methoxyphenyl)methyl]-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)	2.40	7.52	-16.85	1	7	0	86	400.438	5	↓ MOL2 SDF SMILES Flexibase

21538604

Analogs

6917067

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Popular Name: N-(2,3-dimethylphenyl)-6-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(2,3-dimethylphenyl)-6-[(4-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)	4.27	11.15	-17.1	1	6	0	73	427.504	5	↓ MOL2 SDF SMILES Flexibase

21538606

Analogs

35426918
6917066

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-N-phenyl-1,6-naphthyridine-3-carboxamide 6-[(4-methoxyphenyl)methyl]-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)	3.47	9.28	-17.02	1	6	0	73	399.45	5	↓ MOL2 SDF SMILES Flexibase

21538607

Analogs

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Popular Name: N-[2-(2-furylmethylsulfanyl)ethyl]-6-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-ca N-[2-(2-furylmethylsulfanyl)ethy…

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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)	3.15	9.62	-19.58	1	7	0	86	463.559	9	↓ MOL2 SDF SMILES Flexibase

21538609

Analogs

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Popular Name: 6-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-N-(2-thienylmethyl)-1,6-naphthyridine-3-carboxamide 6-[(4-methoxyphenyl)methyl]-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)	3.07	8.5	-15.7	1	6	0	73	419.506	6	↓ MOL2 SDF SMILES Flexibase

21538611

Analogs

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Popular Name: N-[2-(2-furyl)ethyl]-6-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-[2-(2-furyl)ethyl]-6-[(4-metho…

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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)	2.84	8.27	-19	1	7	0	86	417.465	7	↓ MOL2 SDF SMILES Flexibase

21538613

Analogs

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Popular Name: N-[3-(2-furyl)propyl]-6-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-[3-(2-furyl)propyl]-6-[(4-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)	3.11	9.05	-18.27	1	7	0	86	431.492	8	↓ MOL2 SDF SMILES Flexibase

21538615

Analogs

6915338

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Popular Name: N-(3-fluorophenyl)-2-methyl-5-oxo-6-(3-pyridylmethyl)-1,6-naphthyridine-3-carboxamide N-(3-fluorophenyl)-2-methyl-5-ox…

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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)	2.32	8.25	-20.02	1	6	0	77	388.402	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.32	8.69	-52.12	2	6	1	78	389.41	4	↓ MOL2 SDF SMILES Flexibase

21538617

Analogs

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Popular Name: N-(2-furylmethyl)-2-methyl-5-oxo-6-(3-pyridylmethyl)-1,6-naphthyridine-3-carboxamide N-(2-furylmethyl)-2-methyl-5-oxo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.14	6.42	-18.03	1	7	0	90	374.4	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.14	6.86	-47.83	2	7	1	91	375.408	5	↓ MOL2 SDF SMILES Flexibase

21538619

Analogs

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Popular Name: 2-methyl-3-(4-methylpiperazine-1-carbonyl)-6-(3-pyridylmethyl)-1,6-naphthyridin-5-one 2-methyl-3-(4-methylpiperazine-1…

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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)	0.14	5.91	-17.25	0	7	0	71	377.448	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.14	8.3	-49.92	1	7	1	73	378.456	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.14	8.73	-97.7	2	7	2	74	379.464	3	↓ MOL2 SDF SMILES Flexibase

21538623

Analogs

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Popular Name: 2-methyl-5-oxo-N,6-bis(3-pyridylmethyl)-1,6-naphthyridine-3-carboxamide 2-methyl-5-oxo-N,6-bis(3-pyridyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.64	6.51	-18.98	1	7	0	90	385.427	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.64	6.94	-48.24	2	7	1	91	386.435	5	↓ MOL2 SDF SMILES Flexibase

21538625

Analogs

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Popular Name: 2-methyl-5-oxo-N-phenyl-6-(3-pyridylmethyl)-1,6-naphthyridine-3-carboxamide 2-methyl-5-oxo-N-phenyl-6-(3-pyr…

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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	8.17	-18.3	1	6	0	77	370.412	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.18	8.61	-49.24	2	6	1	78	371.42	4	↓ MOL2 SDF SMILES Flexibase

21538627

Analogs

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Popular Name: 2-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-oxo-6-(3-pyridylmethyl)-1,6-naphthyridine-3-carboxamid 2-methyl-N-[(4-methylsulfanylphe…

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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)	2.31	9.32	-18.2	1	6	0	77	430.533	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.31	9.76	-47.78	2	6	1	78	431.541	6	↓ MOL2 SDF SMILES Flexibase

21538629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-furylmethylsulfanyl)ethyl]-2-methyl-5-oxo-6-(3-pyridylmethyl)-1,6-naphthyridine-3-carboxamid N-[2-(2-furylmethylsulfanyl)ethy…

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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)	1.86	8.53	-19.33	1	7	0	90	434.521	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.86	8.97	-59.05	2	7	1	91	435.529	8	↓ MOL2 SDF SMILES Flexibase

21538631

Analogs

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Popular Name: N-[2-(2-furyl)ethyl]-2-methyl-5-oxo-6-(3-pyridylmethyl)-1,6-naphthyridine-3-carboxamide N-[2-(2-furyl)ethyl]-2-methyl-5-…

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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)	1.54	7.18	-20.26	1	7	0	90	388.427	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.54	7.62	-51.53	2	7	1	91	389.435	6	↓ MOL2 SDF SMILES Flexibase

21538633

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-methyl-5-oxo-6-(2-thienylmethyl)-1,6-naphthyridine-3-carboxamide N-(3-methoxyphenyl)-2-methyl-5-o…

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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)	3.35	8.41	-18.41	1	6	0	73	405.479	5	↓ MOL2 SDF SMILES Flexibase

21538635

Analogs

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Popular Name: N-(2-fluorophenyl)-2-methyl-5-oxo-6-(2-thienylmethyl)-1,6-naphthyridine-3-carboxamide N-(2-fluorophenyl)-2-methyl-5-ox…

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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)	3.43	9.21	-14.79	1	5	0	64	393.443	4	↓ MOL2 SDF SMILES Flexibase

21538637

Analogs

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Popular Name: N-(3-fluorophenyl)-2-methyl-5-oxo-6-(2-thienylmethyl)-1,6-naphthyridine-3-carboxamide N-(3-fluorophenyl)-2-methyl-5-ox…

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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)	3.45	9.17	-17.41	1	5	0	64	393.443	4	↓ MOL2 SDF SMILES Flexibase

21538638

Analogs

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Popular Name: 2-methyl-3-(4-methylpiperidine-1-carbonyl)-6-(2-thienylmethyl)-1,6-naphthyridin-5-one 2-methyl-3-(4-methylpiperidine-1…

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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	9.86	-12.78	0	5	0	55	381.501	3	↓ MOL2 SDF SMILES Flexibase

21538640

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-methyl-5-oxo-6-(2-thienylmethyl)-1,6-naphthyridine-3-carboxamide N-[(4-fluorophenyl)methyl]-2-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)	3.18	9.26	-12.89	1	5	0	64	407.47	5	↓ MOL2 SDF SMILES Flexibase

21538642

Analogs

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Popular Name: 6-(2-furylmethyl)-2-methyl-3-(4-propylpiperazine-1-carbonyl)-1,6-naphthyridin-5-one 6-(2-furylmethyl)-2-methyl-3-(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)	1.52	9.69	-47.01	1	7	1	73	395.483	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.52	7.43	-12.48	0	7	0	72	394.475	5	↓ MOL2 SDF SMILES Flexibase

21538643

Analogs

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Popular Name: 6-(2-furylmethyl)-N-(3-methoxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide 6-(2-furylmethyl)-N-(3-methoxyph…

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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)	2.70	7.41	-17.01	1	7	0	86	389.411	5	↓ MOL2 SDF SMILES Flexibase

21538645

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-6-(2-furylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(3,5-dimethoxyphenyl)-6-(2-fur…

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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	6.74	-16.85	1	8	0	96	419.437	6	↓ MOL2 SDF SMILES Flexibase

21538647

Analogs

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Popular Name: N-(2-ethylphenyl)-6-(2-furylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(2-ethylphenyl)-6-(2-furylmeth…

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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)	3.54	10.13	-13.52	1	6	0	77	387.439	5	↓ MOL2 SDF SMILES Flexibase

21538649

Analogs

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Popular Name: 6-(2-furylmethyl)-2-methyl-3-(4-methylpiperidine-1-carbonyl)-1,6-naphthyridin-5-one 6-(2-furylmethyl)-2-methyl-3-(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)	1.90	8.86	-13.52	0	6	0	68	365.433	3	↓ MOL2 SDF SMILES Flexibase

21538651

Analogs

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Popular Name: N-(4-ethoxyphenyl)-6-(2-furylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(4-ethoxyphenyl)-6-(2-furylmet…

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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)	3.10	8.67	-15.52	1	7	0	86	403.438	6	↓ MOL2 SDF SMILES Flexibase

21538653

Analogs

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Popular Name: 6-(2-furylmethyl)-N-isopentyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide 6-(2-furylmethyl)-N-isopentyl-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)	2.63	7.25	-13.12	1	6	0	77	353.422	6	↓ MOL2 SDF SMILES Flexibase

21538655

Analogs

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Popular Name: 6-(2-furylmethyl)-2-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6-naphthyridin-5-one 6-(2-furylmethyl)-2-methyl-3-(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)	0.64	5.82	-13.01	0	7	0	72	366.421	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.64	8.21	-47.94	1	7	1	73	367.429	3	↓ MOL2 SDF SMILES Flexibase

21538656

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-6-(2-furylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(3-chloro-4-fluoro-phenyl)-6-(…

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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)	3.44	8.66	-15.94	1	6	0	77	411.82	4	↓ MOL2 SDF SMILES Flexibase

21538658

Analogs

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Popular Name: 3-(4-ethylpiperazine-1-carbonyl)-6-(2-furylmethyl)-2-methyl-1,6-naphthyridin-5-one 3-(4-ethylpiperazine-1-carbonyl)…

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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)	1.01	8.94	-46.24	1	7	1	73	381.456	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.01	6.68	-12.64	0	7	0	72	380.448	4	↓ MOL2 SDF SMILES Flexibase

21538660

Analogs

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Popular Name: N-[(4-ethylphenyl)methyl]-6-(2-furylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-[(4-ethylphenyl)methyl]-6-(2-f…

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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	9.98	-13.02	1	6	0	77	401.466	6	↓ MOL2 SDF SMILES Flexibase

21538662

Analogs

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Popular Name: 6-(2-furylmethyl)-N-[(4-isopropoxyphenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide 6-(2-furylmethyl)-N-[(4-isopropo…

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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	9.1	-14.13	1	7	0	86	431.492	7	↓ MOL2 SDF SMILES Flexibase

21538664

Analogs

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Popular Name: 6-(2-furylmethyl)-N-[(2-methoxyphenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide 6-(2-furylmethyl)-N-[(2-methoxyp…

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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)	2.38	7.58	-14.49	1	7	0	86	403.438	6	↓ MOL2 SDF SMILES Flexibase

21538666

Analogs

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Popular Name: 6-(2-furylmethyl)-2-methyl-5-oxo-N-(2-thienylmethyl)-1,6-naphthyridine-3-carboxamide 6-(2-furylmethyl)-2-methyl-5-oxo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	7.32	-12.97	1	6	0	77	379.441	5	↓ MOL2 SDF SMILES Flexibase

21538668

Analogs

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Popular Name: N-[(4-bromophenyl)methyl]-6-(2-furylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-[(4-bromophenyl)methyl]-6-(2-f…

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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	8.82	-13.23	1	6	0	77	452.308	5	↓ MOL2 SDF SMILES Flexibase

21538670

Analogs

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Popular Name: N-[2-(2-furyl)ethyl]-6-(2-furylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-[2-(2-furyl)ethyl]-6-(2-furylm…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.04	7.1	-16.36	1	7	0	90	377.4	6	↓ MOL2 SDF SMILES Flexibase

21538672

Analogs

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Popular Name: 6-(2-furylmethyl)-N-[3-(2-furyl)propyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide 6-(2-furylmethyl)-N-[3-(2-furyl)…

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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)	2.31	7.87	-15.54	1	7	0	90	391.427	7	↓ MOL2 SDF SMILES Flexibase

21538674

Analogs

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Popular Name: 6-(2-methoxyethyl)-N-(3-methoxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide 6-(2-methoxyethyl)-N-(3-methoxyp…

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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	5.36	-15.31	1	7	0	82	367.405	6	↓ MOL2 SDF SMILES Flexibase

21538676

Analogs

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Popular Name: 6-(2-methoxyethyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide 6-(2-methoxyethyl)-N-(4-methoxyp…

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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)	1.86	5.34	-13.99	1	7	0	82	367.405	6	↓ MOL2 SDF SMILES Flexibase

21538678

Analogs

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Popular Name: N-cyclopentyl-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-cyclopentyl-6-(2-methoxyethyl)…

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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)	1.51	5.35	-11.49	1	6	0	73	329.4	5	↓ MOL2 SDF SMILES Flexibase

21538680

Analogs

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Popular Name: N-(2,4-difluorophenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(2,4-difluorophenyl)-6-(2-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)	2.06	6.22	-10.13	1	6	0	73	373.359	5	↓ MOL2 SDF SMILES Flexibase

21538681

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(2,3-dimethylphenyl)-6-(2-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)	2.61	7.95	-12.55	1	6	0	73	365.433	5	↓ MOL2 SDF SMILES Flexibase

21538683

Analogs

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Popular Name: N-(2-ethylphenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(2-ethylphenyl)-6-(2-methoxyet…

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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)	2.67	8.08	-11.79	1	6	0	73	365.433	6	↓ MOL2 SDF SMILES Flexibase

21538685

Analogs

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Popular Name: N-(3-fluorophenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(3-fluorophenyl)-6-(2-methoxye…

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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)	1.94	6.11	-14.43	1	6	0	73	355.369	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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