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ZINC Item

Suppliers, Protomers, & Similar Substances

20118798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-methyl-5-[5-(2-pyridyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]but-3-en-1-o 1-[6-methyl-5-[5-(2-pyridyl)-1,2…

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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)	1.72	7.53	-17.56	0	7	0	85	361.405	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.72	7.92	-50.2	1	7	1	86	362.413	4	↓ MOL2 SDF SMILES Flexibase

20119217

Analogs

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Popular Name: 6-methyl-3-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin- 6-methyl-3-[3-(3-methyl-5,6,7,8-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.67	8.09	-62.69	3	7	1	101	374.424	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.67	8.49	-121.2	4	7	2	103	375.432	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.67	6.65	-23.41	2	7	0	97	373.416	2	↓ MOL2 SDF SMILES Flexibase

20119307

Analogs

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Popular Name: 2-methylsulfanyl-1-[6-methyl-5-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin- 2-methylsulfanyl-1-[6-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)	2.26	8.34	-16.45	0	6	0	72	386.502	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.26	8.74	-52.29	1	6	1	73	387.51	4	↓ MOL2 SDF SMILES Flexibase

20119536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-5-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine 6-methyl-5-[5-(1H-pyrazol-4-yl)-…

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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)	0.69	3.23	-56.26	3	7	1	97	283.315	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.69	3.62	-108.96	4	7	2	98	284.323	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.69	1.83	-13.54	2	7	0	93	282.307	2	↓ MOL2 SDF SMILES Flexibase

20119785

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-5-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine 6-methyl-5-[5-(2-pyrazol-1-ylphe…

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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	8.07	-55.93	2	7	1	86	359.413	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.27	8.46	-107.81	3	7	2	87	360.421	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.27	6.67	-15.78	1	7	0	82	358.405	3	↓ MOL2 SDF SMILES Flexibase

20119823

Analogs

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Popular Name: 6-methyl-5-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyri 6-methyl-5-[5-(4-methyl-1,2,5-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)	0.94	4.05	-54.38	2	8	1	107	299.314	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.94	4.44	-109.58	3	8	2	109	300.322	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.94	2.65	-8.19	1	8	0	103	298.306	2	↓ MOL2 SDF SMILES Flexibase

19865556

Analogs

19865559

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Popular Name: 5-[5-[(2S)-1,4-dioxan-2-yl]-1,2,4-oxadiazol-3-yl]-N-isopropyl-6-methyl-3,4-dihydro-1H-2,7-naphthyrid 5-[5-[(2S)-1,4-dioxan-2-yl]-1,2,…

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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)	1.42	4.77	-16.5	1	9	0	103	387.44	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.42	5.16	-52.29	2	9	1	104	388.448	3	↓ MOL2 SDF SMILES Flexibase

19865559

Analogs

19865556

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Popular Name: 5-[5-[(2R)-1,4-dioxan-2-yl]-1,2,4-oxadiazol-3-yl]-N-isopropyl-6-methyl-3,4-dihydro-1H-2,7-naphthyrid 5-[5-[(2R)-1,4-dioxan-2-yl]-1,2,…

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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)	1.42	4.74	-16.67	1	9	0	103	387.44	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.42	5.13	-52.49	2	9	1	104	388.448	3	↓ MOL2 SDF SMILES Flexibase

19865590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-[1-(2-methoxyphenoxy)-1-methyl-ethyl]-1,2,4-oxadiazol-3-yl]-6-methyl-1,2,3,4-tetrahydro-2,7-nap 5-[5-[1-(2-methoxyphenoxy)-1-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)	2.78	6.91	-55.71	2	7	1	87	381.456	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.78	7.31	-108.86	3	7	2	88	382.464	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.78	5.51	-11.52	1	7	0	82	380.448	5	↓ MOL2 SDF SMILES Flexibase

11838377

Analogs

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Popular Name: N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1H-benzimidazole-5 N-[[7-(2-cyclopentylacetyl)-3-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)	2.28	-3.41	-21.69	2	7	0	91	431.54	5	↓ MOL2 SDF SMILES Flexibase

11838718

Analogs

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Popular Name: N-[[7-(3-dimethylaminobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-(1-piperidyl) N-[[7-(3-dimethylaminobenzoyl)-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)	1.80	-2.21	-43.91	2	7	1	70	450.607	6	↓ MOL2 SDF SMILES Flexibase

11838840

Analogs

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Popular Name: N-[[3-methyl-7-(4-methyl-2-oxo-pentanoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1H-indole-2-c N-[[3-methyl-7-(4-methyl-2-oxo-p…

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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	-2.52	-11.31	2	7	0	95	432.524	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.04	-2.46	-45.09	3	7	1	96	433.532	6	↓ MOL2 SDF SMILES Flexibase

11838847

Analogs

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Popular Name: N-[[7-(2-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methyl-thiophene-2- N-[[7-(2-methoxybenzoyl)-3-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)	2.67	-2.21	-18.21	1	6	0	72	435.549	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.67	-2.14	-51.65	2	6	1	73	436.557	5	↓ MOL2 SDF SMILES Flexibase

11839069

Analogs

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Popular Name: N-[[3-methyl-7-[3-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1H-benzimid N-[[3-methyl-7-[3-(trifluorometh…

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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)	2.33	-1.22	-24.22	2	7	0	91	493.489	5	↓ MOL2 SDF SMILES Flexibase

11839541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[7-(1H-indole-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-(methoxymethyl) N-[[7-(1H-indole-2-carbonyl)-3-m…

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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	-2.93	-15.98	2	8	0	100	458.518	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.38	-2.86	-50.96	3	8	1	102	459.526	6	↓ MOL2 SDF SMILES Flexibase

11839618

Analogs

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Popular Name: N-[[7-(2,3-dimethyl1H-indole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-(me N-[[7-(2,3-dimethyl1H-indole-5-c…

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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)	2.24	-2.76	-18.96	2	8	0	100	486.572	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.24	-2.69	-53.13	3	8	1	102	487.58	6	↓ MOL2 SDF SMILES Flexibase

11839725

Analogs

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Popular Name: N-[[7-(3-chlorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide N-[[7-(3-chlorobenzoyl)-3-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)	2.47	-6.6	-18.36	1	6	0	79	461.996	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.47	-6.53	-52.42	2	6	1	81	463.004	5	↓ MOL2 SDF SMILES Flexibase

11839732

Analogs

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Popular Name: N-[[7-[(Z)-2-fluoro-3-phenyl-prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-i N-[[7-[(Z)-2-fluoro-3-phenyl-pro…

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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)	1.10	-0.58	-18.43	1	7	0	80	433.487	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.10	-0.3	-42.09	2	7	1	81	434.495	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.10	-0.51	-54.25	2	7	1	81	434.495	6	↓ MOL2 SDF SMILES Flexibase

11839769

Analogs

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Popular Name: N-[[7-[2-(1-cyclohexenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-pyrimidin-2 N-[[7-[2-(1-cyclohexenyl)acetyl]…

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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	-3.87	-19.1	1	7	0	88	451.596	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.38	-3.81	-56.03	2	7	1	89	452.604	7	↓ MOL2 SDF SMILES Flexibase

11839817

Analogs

11839820

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-methyl-7-[2-[(1S)-3-oxoisoindolin-1-yl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2- N-[[3-methyl-7-[2-[(1S)-3-oxoiso…

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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)	1.29	-4.9	-24.87	2	7	0	91	474.586	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.29	-4.83	-62.46	3	7	1	93	475.594	6	↓ MOL2 SDF SMILES Flexibase

11839820

Analogs

11839817

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-methyl-7-[2-[(1R)-3-oxoisoindolin-1-yl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2- N-[[3-methyl-7-[2-[(1R)-3-oxoiso…

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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)	1.29	-4.92	-22.91	2	7	0	91	474.586	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.29	-4.86	-63.46	3	7	1	93	475.594	6	↓ MOL2 SDF SMILES Flexibase

11839886

Analogs

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Popular Name: N-[[7-(2-ethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluoro-benzamide N-[[7-(2-ethylbutanoyl)-3-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	-0.47	-17.28	1	5	0	62	397.494	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.00	-0.4	-55.05	2	5	1	64	398.502	6	↓ MOL2 SDF SMILES Flexibase

11840091

Analogs

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Popular Name: N-[[7-(benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-(2-thienyl)ace N-[[7-(benzofuran-2-carbonyl)-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)	3.02	-2.27	-14.54	1	6	0	75	445.544	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.02	-2.21	-48.48	2	6	1	77	446.552	5	↓ MOL2 SDF SMILES Flexibase

11840141

Analogs

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Popular Name: N-[[3-methyl-7-[2-(4-methylthiazol-2-yl)sulfanylacetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl] N-[[3-methyl-7-[2-(4-methylthiaz…

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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)	1.93	-4.37	-20.51	1	6	0	75	472.661	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.93	-4.3	-60.03	2	6	1	76	473.669	7	↓ MOL2 SDF SMILES Flexibase

11840321

Analogs

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Popular Name: N-[[3-methyl-7-(3-phenylpropanoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanyl-ben N-[[3-methyl-7-(3-phenylpropanoy…

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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)	3.46	-1.54	-16.19	1	5	0	62	459.615	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.46	-1.47	-52.09	2	5	1	64	460.623	7	↓ MOL2 SDF SMILES Flexibase

11840442

Analogs

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Popular Name: N-[[3-methyl-7-[(E)-2-methylbut-2-enoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfan N-[[3-methyl-7-[(E)-2-methylbut-…

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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)	2.58	-1.39	-16.01	1	5	0	62	409.555	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.58	-1.33	-50.75	2	5	1	64	410.563	5	↓ MOL2 SDF SMILES Flexibase

11840598

Analogs

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Popular Name: N-[[7-(6,6-dimethyl-4-oxo-5H-pyran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl] N-[[7-(6,6-dimethyl-4-oxo-5H-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)	1.54	-5.2	-19.74	1	8	0	106	469.563	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.54	-5.14	-55.22	2	8	1	107	470.571	5	↓ MOL2 SDF SMILES Flexibase

11840660

Analogs

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Popular Name: N-[[7-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-( N-[[7-[(E)-3-(2-chlorophenyl)pro…

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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)	3.55	-2.25	-19.73	1	5	0	62	466.006	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.55	-2.18	-59.33	2	5	1	64	467.014	6	↓ MOL2 SDF SMILES Flexibase

11840805

Analogs

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Popular Name: (E)-N-[[7-(4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-(2-thienyl)prop- (E)-N-[[7-(4-fluorobenzoyl)-3-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)	2.52	-1.68	-13.81	1	5	0	62	435.524	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.52	-1.61	-49.74	2	5	1	64	436.532	5	↓ MOL2 SDF SMILES Flexibase

11841168

Analogs

11965762

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[7-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thia N-[[7-[(E)-3-(2-fluorophenyl)pro…

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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	-2.04	-19.61	1	6	0	75	436.512	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.21	-1.98	-59.27	2	6	1	76	437.52	5	↓ MOL2 SDF SMILES Flexibase

11841501

Analogs

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Popular Name: 5-acetyl-N-[[3-methyl-7-[(E)-4-methylpent-2-enoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiop 5-acetyl-N-[[3-methyl-7-[(E)-4-m…

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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)	1.64	-1.36	-22.35	1	6	0	79	425.554	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.64	-1.3	-61.57	2	6	1	81	426.562	6	↓ MOL2 SDF SMILES Flexibase

11841557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(dimethylsulfamoylamino)methyl]-6-methyl-2-[2-(2-thienyl)acetyl]-3,4-dihydro-1H-2,7-naphthyridine 5-[(dimethylsulfamoylamino)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)	0.80	-6.6	-18.54	1	7	0	83	408.549	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.80	-6.53	-53.55	2	7	1	84	409.557	6	↓ MOL2 SDF SMILES Flexibase

11841847

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-m 5-ethyl-N-[[7-[2-(2-methoxypheno…

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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	-1.22	-23.33	1	9	0	99	477.565	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.53	-1.16	-64.19	2	9	1	100	478.573	8	↓ MOL2 SDF SMILES Flexibase

11841973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-methyl-7-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]me N-[[3-methyl-7-(4,5,6,7-tetrahyd…

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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)	2.65	-3.55	-16.88	1	7	0	81	489.597	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.65	-3.49	-53.81	2	7	1	82	490.605	4	↓ MOL2 SDF SMILES Flexibase

11841976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[7-[2-(2-chlorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenoxy-pro N-[[7-[2-(2-chlorophenyl)acetyl]…

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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	-1.96	-15.84	1	6	0	72	477.992	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.43	-1.9	-52.86	2	6	1	73	479	8	↓ MOL2 SDF SMILES Flexibase

11842001

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[7-(adamantane-1-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1H-indole-2-carb N-[[7-(adamantane-1-carbonyl)-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)	4.15	-3.65	-15.28	2	6	0	78	482.628	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.15	-3.58	-57.17	3	6	1	79	483.636	4	↓ MOL2 SDF SMILES Flexibase

11842034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[7-(6,6-dimethyl-4-oxo-5H-pyran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl] N-[[7-(6,6-dimethyl-4-oxo-5H-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)	1.35	-1.97	-17.61	1	7	0	89	453.564	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.35	-1.9	-55.7	2	7	1	90	454.572	5	↓ MOL2 SDF SMILES Flexibase

11973400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[7-[4-(4-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carbo N-[[7-[4-(4-fluorophenyl)benzoyl…

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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)	3.21	-0.18	-17.01	1	6	0	75	469.516	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.21	-0.11	-53.08	2	6	1	77	470.524	5	↓ MOL2 SDF SMILES Flexibase

11973442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-methyl-7-[3-(m-tolyl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide N-[[3-methyl-7-[3-(m-tolyl)benzo…

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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)	2.53	-4.75	-21.43	1	6	0	79	449.576	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.53	-4.69	-53.44	2	6	1	81	450.584	5	↓ MOL2 SDF SMILES Flexibase

11973544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-methyl-7-(2,2,3,3-tetramethylcyclopropanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl N-[[3-methyl-7-(2,2,3,3-tetramet…

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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)	2.22	-2.36	-20.45	2	7	0	91	445.567	4	↓ MOL2 SDF SMILES Flexibase

11973589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[7-(4-dimethylaminobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carb N-[[7-(4-dimethylaminobenzoyl)-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)	1.69	-2.32	-16.43	1	6	0	66	434.565	5	↓ MOL2 SDF SMILES Flexibase

11973672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[7-(cyclopentanecarbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole- N-[[7-(cyclopentanecarbonyl)-3-m…

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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)	2.43	-2.8	-17.56	1	7	0	81	421.497	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.43	-2.73	-57.88	2	7	1	82	422.505	4	↓ MOL2 SDF SMILES Flexibase

11973707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(dimethylsulfamoylamino)methyl]-2-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-6-methyl-3,4-dihydro-1H-2, 5-[(dimethylsulfamoylamino)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)	1.59	-4.75	-17.14	1	7	0	83	432.521	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.59	-4.68	-50.41	2	7	1	84	433.529	6	↓ MOL2 SDF SMILES Flexibase

11973776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamid N-[[7-(2,3-dimethoxybenzoyl)-3-m…

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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)	1.62	-0.65	-18.71	1	8	0	94	435.48	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.62	-0.58	-51.65	2	8	1	95	436.488	6	↓ MOL2 SDF SMILES Flexibase

11973795

Analogs

11782404
11790254

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[7-(4-tert-butylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-ethyl-2-methyl-p N-[[7-(4-tert-butylbenzoyl)-3-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	-0.6	-15.61	1	7	0	80	473.621	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.18	-0.54	-54.32	2	7	1	81	474.629	6	↓ MOL2 SDF SMILES Flexibase

11974116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-methyl-7-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl] N-[[3-methyl-7-(5-methyl-3-pheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	-0.9	-16.54	1	7	0	88	472.57	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.20	-0.83	-51.53	2	7	1	90	473.578	5	↓ MOL2 SDF SMILES Flexibase

11974192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[7-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3 N-[[7-[(E)-3-(2-chlorophenyl)pro…

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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	-2.19	-21.04	1	7	0	81	489.959	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.45	-2.13	-62.74	2	7	1	82	490.967	5	↓ MOL2 SDF SMILES Flexibase

11974302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[7-(3-chlorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-ethyl-2-methyl-pyraz N-[[7-(3-chlorobenzoyl)-3-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)	2.13	-1.9	-14	1	7	0	80	451.958	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.13	-1.84	-50.35	2	7	1	81	452.966	5	↓ MOL2 SDF SMILES Flexibase

11974309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-methyl-7-(5-methylthiophene-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrazine-2 N-[[3-methyl-7-(5-methylthiophen…

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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)	1.12	-4.06	-15.08	1	7	0	88	407.499	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.12	-3.99	-49.83	2	7	1	89	408.507	4	↓ MOL2 SDF SMILES Flexibase

11974348

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-acetyl-N-[[7-(2,5-dimethylpyrazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methy 5-acetyl-N-[[7-(2,5-dimethylpyra…

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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)	1.10	-2.23	-24.56	1	8	0	97	451.552	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.10	-2.17	-64.69	2	8	1	98	452.56	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 22512
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 = 22512 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": "22512"        

    });
</script>

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Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations