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51482236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-6-(ethylaminomethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-6-(ethylaminomethyl)-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)	1.90	7.33	-37.14	2	4	1	42	264.393	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.90	6.24	-24.33	2	4	1	39	264.393	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.90	7.61	-97.57	3	4	2	43	265.401	7	↓ MOL2 SDF SMILES Flexibase

51482239

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-6-(ethylaminomethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-6-(ethylaminomethyl)-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)	1.90	7.34	-34.82	2	4	1	42	264.393	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.90	6.29	-22.65	2	4	1	39	264.393	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.90	7.66	-95.46	3	4	2	43	265.401	7	↓ MOL2 SDF SMILES Flexibase

51482250

Analogs

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Popular Name: N-ethyl-6-(propylaminomethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-6-(propylaminomethyl)-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)	2.40	8.08	-37.87	2	4	1	42	278.42	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.40	8.36	-99.55	3	4	2	43	279.428	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.40	7.01	-24.45	2	4	1	39	278.42	8	↓ MOL2 SDF SMILES Flexibase

51482253

Analogs

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Popular Name: N-ethyl-6-(propylaminomethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-6-(propylaminomethyl)-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)	2.40	8.09	-35.33	2	4	1	42	278.42	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.40	8.41	-97.45	3	4	2	43	279.428	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.40	7.05	-22.7	2	4	1	39	278.42	8	↓ MOL2 SDF SMILES Flexibase

51482256

Analogs

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Popular Name: N-ethyl-6-[(isopropylamino)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-6-[(isopropylamino)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)	2.19	8.05	-34.03	2	4	1	42	278.42	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.19	8.21	-94.31	3	4	2	43	279.428	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.19	7.01	-22.8	2	4	1	39	278.42	7	↓ MOL2 SDF SMILES Flexibase

51482260

Analogs

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Popular Name: N-ethyl-6-[(isopropylamino)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-6-[(isopropylamino)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)	2.19	7.82	-35.55	2	4	1	42	278.42	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.19	8.16	-96.43	3	4	2	43	279.428	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.19	6.96	-24.52	2	4	1	39	278.42	7	↓ MOL2 SDF SMILES Flexibase

51482275

Analogs

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Popular Name: N-ethyl-3-(propylaminomethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-3-(propylaminomethyl)-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)	2.28	8.08	-40.54	2	4	1	42	278.42	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.28	8.47	-90.62	3	4	2	43	279.428	8	↓ MOL2 SDF SMILES Flexibase

51482278

Analogs

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Popular Name: N-ethyl-3-(propylaminomethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-3-(propylaminomethyl)-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)	2.28	7.77	-36.47	2	4	1	42	278.42	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.28	8.1	-87.41	3	4	2	43	279.428	8	↓ MOL2 SDF SMILES Flexibase

51482298

Analogs

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Popular Name: N-ethyl-3-[(isobutylamino)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-3-[(isobutylamino)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)	2.52	8.77	-46.1	2	4	1	42	292.447	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.52	9.3	-93.56	3	4	2	43	293.455	8	↓ MOL2 SDF SMILES Flexibase

51482300

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-3-[(isobutylamino)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-3-[(isobutylamino)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)	2.52	8.83	-47.67	2	4	1	42	292.447	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.52	9.2	-97.13	3	4	2	43	293.455	8	↓ MOL2 SDF SMILES Flexibase

51482309

Analogs

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Popular Name: 6-[(tert-butylamino)methyl]-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 6-[(tert-butylamino)methyl]-N-et…

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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	8.47	-32.47	2	4	1	42	292.447	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.71	8.63	-92.42	3	4	2	43	293.455	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.71	7.4	-22.72	2	4	1	39	292.447	7	↓ MOL2 SDF SMILES Flexibase

51482312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(tert-butylamino)methyl]-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 6-[(tert-butylamino)methyl]-N-et…

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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	8.24	-33.97	2	4	1	42	292.447	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.71	8.58	-94.8	3	4	2	43	293.455	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.71	7.35	-24.46	2	4	1	39	292.447	7	↓ MOL2 SDF SMILES Flexibase

51482315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-6-[(isobutylamino)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-6-[(isobutylamino)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)	2.64	8.97	-36.31	2	4	1	42	292.447	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.64	9.13	-98.46	3	4	2	43	293.455	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.64	7.76	-22.93	2	4	1	39	292.447	8	↓ MOL2 SDF SMILES Flexibase

51482318

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-6-[(isobutylamino)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-6-[(isobutylamino)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)	2.64	8.74	-37.94	2	4	1	42	292.447	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.64	9.08	-100.64	3	4	2	43	293.455	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.64	7.71	-24.68	2	4	1	39	292.447	8	↓ MOL2 SDF SMILES Flexibase

51482321

Analogs

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Popular Name: 5-chloro-N-ethyl-6-(methylaminomethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 5-chloro-N-ethyl-6-(methylaminom…

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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	7.06	-33.46	2	4	1	42	284.811	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.54	5.62	-5.64	1	4	0	37	283.803	6	↓ MOL2 SDF SMILES Flexibase

51482325

Analogs

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Popular Name: 5-chloro-N-ethyl-6-(methylaminomethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 5-chloro-N-ethyl-6-(methylaminom…

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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	6.85	-34.68	2	4	1	42	284.811	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.54	5.4	-4.26	1	4	0	37	283.803	6	↓ MOL2 SDF SMILES Flexibase

51482327

Analogs

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Popular Name: 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 5-chloro-N-ethyl-6-(ethylaminome…

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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)	2.91	7.73	-33.27	2	4	1	42	298.838	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.91	6.36	-4.18	1	4	0	37	297.83	7	↓ MOL2 SDF SMILES Flexibase

51482330

Analogs

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Popular Name: 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 5-chloro-N-ethyl-6-(ethylaminome…

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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)	2.91	7.74	-31.77	2	4	1	42	298.838	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.91	6.37	-5.83	1	4	0	37	297.83	7	↓ MOL2 SDF SMILES Flexibase

51482333

Analogs

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Popular Name: 5-chloro-N-ethyl-6-(propylaminomethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 5-chloro-N-ethyl-6-(propylaminom…

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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)	3.42	8.48	-33.84	2	4	1	42	312.865	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.42	7.12	-4.06	1	4	0	37	311.857	8	↓ MOL2 SDF SMILES Flexibase

51482336

Analogs

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Popular Name: 5-chloro-N-ethyl-6-(propylaminomethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 5-chloro-N-ethyl-6-(propylaminom…

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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)	3.42	8.5	-32.38	2	4	1	42	312.865	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.42	7.14	-5.67	1	4	0	37	311.857	8	↓ MOL2 SDF SMILES Flexibase

51482339

Analogs

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Popular Name: 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 3-chloro-N-ethyl-5-(ethylaminome…

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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)	2.44	7.78	-45.06	2	4	1	42	298.838	7	↓ MOL2 SDF SMILES Flexibase

51482341

Analogs

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Popular Name: 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 3-chloro-N-ethyl-5-(ethylaminome…

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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)	2.44	7.86	-42.67	2	4	1	42	298.838	7	↓ MOL2 SDF SMILES Flexibase

51482343

Analogs

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Popular Name: 3-chloro-N-ethyl-5-(propylaminomethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 3-chloro-N-ethyl-5-(propylaminom…

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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)	2.94	8.53	-45.93	2	4	1	42	312.865	8	↓ MOL2 SDF SMILES Flexibase

51482348

Analogs

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Popular Name: 3-chloro-N-ethyl-5-(propylaminomethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 3-chloro-N-ethyl-5-(propylaminom…

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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)	2.94	8.61	-43.56	2	4	1	42	312.865	8	↓ MOL2 SDF SMILES Flexibase

51482352

Analogs

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Popular Name: 3-chloro-N-ethyl-5-[(isopropylamino)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 3-chloro-N-ethyl-5-[(isopropylam…

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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)	2.73	8.35	-41.19	2	4	1	42	312.865	7	↓ MOL2 SDF SMILES Flexibase

51482354

Analogs

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Popular Name: 3-chloro-N-ethyl-5-[(isopropylamino)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 3-chloro-N-ethyl-5-[(isopropylam…

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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)	2.73	8.34	-43.42	2	4	1	42	312.865	7	↓ MOL2 SDF SMILES Flexibase

51482368

Analogs

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Popular Name: N-ethyl-4-(ethylaminomethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-4-(ethylaminomethyl)-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)	1.78	7.39	-40.59	2	4	1	42	264.393	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.78	6.02	-4.88	1	4	0	37	263.385	7	↓ MOL2 SDF SMILES Flexibase

51482370

Analogs

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Popular Name: N-ethyl-4-(ethylaminomethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-4-(ethylaminomethyl)-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)	1.78	7.41	-40.93	2	4	1	42	264.393	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.78	6.04	-6.03	1	4	0	37	263.385	7	↓ MOL2 SDF SMILES Flexibase

51482374

Analogs

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Popular Name: N-ethyl-4-(propylaminomethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-4-(propylaminomethyl)-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)	2.28	8.14	-41.42	2	4	1	42	278.42	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.28	6.79	-4.79	1	4	0	37	277.412	8	↓ MOL2 SDF SMILES Flexibase

51482377

Analogs

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Popular Name: N-ethyl-4-(propylaminomethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-4-(propylaminomethyl)-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)	2.28	8.16	-41.64	2	4	1	42	278.42	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.28	6.8	-5.92	1	4	0	37	277.412	8	↓ MOL2 SDF SMILES Flexibase

51482380

Analogs

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Popular Name: N-ethyl-4-[(isopropylamino)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-4-[(isopropylamino)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)	2.07	8.14	-39.41	2	4	1	42	278.42	7	↓ MOL2 SDF SMILES Flexibase

51482383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-[(isopropylamino)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-4-[(isopropylamino)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)	2.07	7.9	-39.5	2	4	1	42	278.42	7	↓ MOL2 SDF SMILES Flexibase

51482393

Analogs

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Popular Name: 4-[(tert-butylamino)methyl]-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 4-[(tert-butylamino)methyl]-N-et…

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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)	2.59	8.55	-37.56	2	4	1	42	292.447	7	↓ MOL2 SDF SMILES Flexibase

51482396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(tert-butylamino)methyl]-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 4-[(tert-butylamino)methyl]-N-et…

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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)	2.59	8.32	-37.68	2	4	1	42	292.447	7	↓ MOL2 SDF SMILES Flexibase

51482399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-[(isobutylamino)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-4-[(isobutylamino)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)	2.52	9.05	-41.82	2	4	1	42	292.447	8	↓ MOL2 SDF SMILES Flexibase

51482400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-[(isobutylamino)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-4-[(isobutylamino)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)	2.52	8.82	-41.97	2	4	1	42	292.447	8	↓ MOL2 SDF SMILES Flexibase

51482404

Analogs

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Popular Name: 5-chloro-N-ethyl-6-[(isopropylamino)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 5-chloro-N-ethyl-6-[(isopropylam…

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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	8.45	-30.57	2	4	1	42	312.865	7	↓ MOL2 SDF SMILES Flexibase

51482407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-ethyl-6-[(isopropylamino)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 5-chloro-N-ethyl-6-[(isopropylam…

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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	8.23	-31.65	2	4	1	42	312.865	7	↓ MOL2 SDF SMILES Flexibase

51482458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4,6-dimethyl-3-(methylaminomethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-4,6-dimethyl-3-(methylam…

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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	8.16	-88.44	3	4	2	43	279.428	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.22	7.68	-43.98	2	4	1	42	278.42	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.22	6.67	-20.95	2	4	1	39	278.42	6	↓ MOL2 SDF SMILES Flexibase

51482462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4,6-dimethyl-3-(methylaminomethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-4,6-dimethyl-3-(methylam…

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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	8.12	-91.75	3	4	2	43	279.428	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.22	6.64	-22.67	2	4	1	39	278.42	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.22	7.67	-45.26	2	4	1	42	278.42	6	↓ MOL2 SDF SMILES Flexibase

51482464

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-3-(ethylaminomethyl)-4,6-dimethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-3-(ethylaminomethyl)-4,6…

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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)	2.59	8.8	-82.06	3	4	2	43	293.455	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.59	8.55	-31.78	2	4	1	42	292.447	7	↓ MOL2 SDF SMILES Flexibase

51482466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-3-(ethylaminomethyl)-4,6-dimethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-3-(ethylaminomethyl)-4,6…

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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)	2.59	8.46	-82.26	3	4	2	43	293.455	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.59	8.16	-35.78	2	4	1	42	292.447	7	↓ MOL2 SDF SMILES Flexibase

51482476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-(ethylaminomethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-5-(ethylaminomethyl)-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)	1.83	7.38	-39.99	2	4	1	42	264.393	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.83	7.7	-98.05	3	4	2	43	265.401	7	↓ MOL2 SDF SMILES Flexibase

51482478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-(ethylaminomethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-5-(ethylaminomethyl)-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)	1.83	7.39	-38.95	2	4	1	42	264.393	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.83	7.89	-92.89	3	4	2	43	265.401	7	↓ MOL2 SDF SMILES Flexibase

51482499

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 5-[(tert-butylamino)methyl]-N-et…

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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)	2.64	8.53	-35.65	2	4	1	42	292.447	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.64	8.7	-91.47	3	4	2	43	293.455	7	↓ MOL2 SDF SMILES Flexibase

51482502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(tert-butylamino)methyl]-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 5-[(tert-butylamino)methyl]-N-et…

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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)	2.64	8.3	-36.76	2	4	1	42	292.447	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.64	8.65	-95.08	3	4	2	43	293.455	7	↓ MOL2 SDF SMILES Flexibase

51482503

Analogs

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Popular Name: N-ethyl-5-[(isobutylamino)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-5-[(isobutylamino)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)	2.58	9.03	-39.57	2	4	1	42	292.447	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.58	9.21	-96.31	3	4	2	43	293.455	8	↓ MOL2 SDF SMILES Flexibase

51482506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-[(isobutylamino)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine N-ethyl-5-[(isobutylamino)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)	2.58	8.79	-40.76	2	4	1	42	292.447	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.58	9.16	-99.97	3	4	2	43	293.455	8	↓ MOL2 SDF SMILES Flexibase

51482508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-ethyl-5-(methylaminomethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 3-chloro-N-ethyl-5-(methylaminom…

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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	6.96	-43.62	2	4	1	42	284.811	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.06	5.52	-5.16	1	4	0	37	283.803	6	↓ MOL2 SDF SMILES Flexibase

51482511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-ethyl-5-(methylaminomethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-2-amine 3-chloro-N-ethyl-5-(methylaminom…

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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	6.94	-45.79	2	4	1	42	284.811	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.06	5.5	-4.82	1	4	0	37	283.803	6	↓ MOL2 SDF SMILES Flexibase

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