ZINC 12

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)	1.65	1.78	-50.3	3	5	1	72	266.365	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.65	1.36	-8.82	2	5	0	70	265.357	4	↓ MOL2 SDF SMILES Flexibase

70321970

Analogs

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Popular Name: [3-[(1S,3S)-3-methoxycyclohexoxy]-5,6-dimethyl-pyridazin-4-yl]methanamine [3-[(1S,3S)-3-methoxycyclohexoxy…

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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)	1.65	1.93	-52.41	3	5	1	72	266.365	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.65	1.51	-10.72	2	5	0	70	265.357	4	↓ MOL2 SDF SMILES Flexibase

70321971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(1R,3R)-3-methoxycyclohexoxy]-5,6-dimethyl-pyridazin-4-yl]methanamine [3-[(1R,3R)-3-methoxycyclohexoxy…

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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)	1.65	1.87	-53.34	3	5	1	72	266.365	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.65	1.46	-8.39	2	5	0	70	265.357	4	↓ MOL2 SDF SMILES Flexibase

70321972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(1S,3R)-3-methoxycyclohexoxy]-5,6-dimethyl-pyridazin-4-yl]methanamine [3-[(1S,3R)-3-methoxycyclohexoxy…

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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)	1.65	1.78	-50.02	3	5	1	72	266.365	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.65	1.36	-8.92	2	5	0	70	265.357	4	↓ MOL2 SDF SMILES Flexibase

70323897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1S,3R)-3-methoxycyclohexoxy]pyridazine-3-carboxylic 6-[(1S,3R)-3-methoxycyclohexoxy]…

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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)	1.36	3.18	-46.15	0	6	-1	84	251.262	4	↓ MOL2 SDF SMILES Flexibase

70323898

Analogs

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Popular Name: 6-[(1S,3S)-3-methoxycyclohexoxy]pyridazine-3-carboxylic 6-[(1S,3S)-3-methoxycyclohexoxy]…

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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)	1.36	3.28	-46.27	0	6	-1	84	251.262	4	↓ MOL2 SDF SMILES Flexibase

70323899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R,3R)-3-methoxycyclohexoxy]pyridazine-3-carboxylic 6-[(1R,3R)-3-methoxycyclohexoxy]…

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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)	1.36	3.33	-49.89	0	6	-1	84	251.262	4	↓ MOL2 SDF SMILES Flexibase

70323900

Analogs

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Popular Name: 6-[(1R,3S)-3-methoxycyclohexoxy]pyridazine-3-carboxylic 6-[(1R,3S)-3-methoxycyclohexoxy]…

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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)	1.36	3.18	-46.14	0	6	-1	84	251.262	4	↓ MOL2 SDF SMILES Flexibase

70328773

Analogs

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Popular Name: 3-chloro-6-[(1R,3S)-3-methoxycyclohexoxy]-4,5-dimethyl-pyridazine 3-chloro-6-[(1R,3S)-3-methoxycyc…

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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)	3.50	4.26	-6.2	0	4	0	44	270.76	3	↓ MOL2 SDF SMILES Flexibase

70328774

Analogs

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Popular Name: 3-chloro-6-[(1S,3S)-3-methoxycyclohexoxy]-4,5-dimethyl-pyridazine 3-chloro-6-[(1S,3S)-3-methoxycyc…

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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)	3.50	4.41	-7.99	0	4	0	44	270.76	3	↓ MOL2 SDF SMILES Flexibase

70328776

Analogs

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Popular Name: 3-chloro-6-[(1R,3R)-3-methoxycyclohexoxy]-4,5-dimethyl-pyridazine 3-chloro-6-[(1R,3R)-3-methoxycyc…

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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)	3.50	4.35	-6.15	0	4	0	44	270.76	3	↓ MOL2 SDF SMILES Flexibase

70328777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-6-[(1S,3R)-3-methoxycyclohexoxy]-4,5-dimethyl-pyridazine 3-chloro-6-[(1S,3R)-3-methoxycyc…

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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)	3.50	4.26	-6.15	0	4	0	44	270.76	3	↓ MOL2 SDF SMILES Flexibase

70328861

Analogs

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Popular Name: 3-[(1R,3S)-3-methoxycyclohexoxy]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[(1R,3S)-3-methoxycyclohexoxy]…

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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	4.07	-8.4	0	5	0	68	261.325	3	↓ MOL2 SDF SMILES Flexibase

70328863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,3S)-3-methoxycyclohexoxy]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[(1S,3S)-3-methoxycyclohexoxy]…

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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	4.22	-8.79	0	5	0	68	261.325	3	↓ MOL2 SDF SMILES Flexibase

70328865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3R)-3-methoxycyclohexoxy]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[(1R,3R)-3-methoxycyclohexoxy]…

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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	4.17	-7.91	0	5	0	68	261.325	3	↓ MOL2 SDF SMILES Flexibase

70328867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,3R)-3-methoxycyclohexoxy]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[(1S,3R)-3-methoxycyclohexoxy]…

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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	4.07	-8.44	0	5	0	68	261.325	3	↓ MOL2 SDF SMILES Flexibase

70329340

Analogs

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Popular Name: 3-[(1R,3S)-3-methoxycyclohexoxy]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[(1R,3S)-3-methoxycyclohexoxy]…

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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	2.91	-14.06	2	5	0	70	295.408	4	↓ MOL2 SDF SMILES Flexibase

70329342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,3S)-3-methoxycyclohexoxy]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[(1S,3S)-3-methoxycyclohexoxy]…

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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	3.06	-14.48	2	5	0	70	295.408	4	↓ MOL2 SDF SMILES Flexibase

70329344

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3R)-3-methoxycyclohexoxy]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[(1R,3R)-3-methoxycyclohexoxy]…

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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	3.01	-13.69	2	5	0	70	295.408	4	↓ MOL2 SDF SMILES Flexibase

70329347

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,3R)-3-methoxycyclohexoxy]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[(1S,3R)-3-methoxycyclohexoxy]…

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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	2.91	-13.73	2	5	0	70	295.408	4	↓ MOL2 SDF SMILES Flexibase

70329991

Analogs

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Popular Name: N'-hydroxy-3-[(1R,3S)-3-methoxycyclohexoxy]-5,6-dimethyl-pyridazine-4-carboxamidine N'-hydroxy-3-[(1R,3S)-3-methoxyc…

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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)	0.78	-0.01	-9.86	3	7	0	103	294.355	4	↓ MOL2 SDF SMILES Flexibase

70330261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3S)-3-methoxycyclohexoxy]-5,6-dimethyl-pyridazine-4-carboxamidine 3-[(1R,3S)-3-methoxycyclohexoxy]…

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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)	0.85	1.18	-35.94	4	6	1	96	279.364	4	↓ MOL2 SDF SMILES Flexibase

70330263

Analogs

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Popular Name: 3-[(1S,3S)-3-methoxycyclohexoxy]-5,6-dimethyl-pyridazine-4-carboxamidine 3-[(1S,3S)-3-methoxycyclohexoxy]…

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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)	0.85	1.33	-37.57	4	6	1	96	279.364	4	↓ MOL2 SDF SMILES Flexibase

70332216

Analogs

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Popular Name: [6-[(1S,3R)-3-methoxycyclohexoxy]pyridazin-3-yl]methanol [6-[(1S,3R)-3-methoxycyclohexoxy…

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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)	1.13	0.06	-7.16	1	5	0	64	238.287	4	↓ MOL2 SDF SMILES Flexibase

70332220

Analogs

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Popular Name: [6-[(1S,3S)-3-methoxycyclohexoxy]pyridazin-3-yl]methanol [6-[(1S,3S)-3-methoxycyclohexoxy…

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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)	1.13	0.15	-6.94	1	5	0	64	238.287	4	↓ MOL2 SDF SMILES Flexibase

70332222

Analogs

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Popular Name: [6-[(1R,3R)-3-methoxycyclohexoxy]pyridazin-3-yl]methanol [6-[(1R,3R)-3-methoxycyclohexoxy…

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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)	1.13	0.21	-8.69	1	5	0	64	238.287	4	↓ MOL2 SDF SMILES Flexibase

70332223

Analogs

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Popular Name: [6-[(1R,3S)-3-methoxycyclohexoxy]pyridazin-3-yl]methanol [6-[(1R,3S)-3-methoxycyclohexoxy…

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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)	1.13	0.06	-7.17	1	5	0	64	238.287	4	↓ MOL2 SDF SMILES Flexibase

70332413

Analogs

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Popular Name: 3-(chloromethyl)-6-[(1S,3R)-3-methoxycyclohexoxy]pyridazine 3-(chloromethyl)-6-[(1S,3R)-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)	2.37	3.83	-7.8	0	4	0	44	256.733	4	↓ MOL2 SDF SMILES Flexibase

70332415

Analogs

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Popular Name: 3-(chloromethyl)-6-[(1S,3S)-3-methoxycyclohexoxy]pyridazine 3-(chloromethyl)-6-[(1S,3S)-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)	2.37	3.92	-7.56	0	4	0	44	256.733	4	↓ MOL2 SDF SMILES Flexibase

70332417

Analogs

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Popular Name: 3-(chloromethyl)-6-[(1R,3R)-3-methoxycyclohexoxy]pyridazine 3-(chloromethyl)-6-[(1R,3R)-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)	2.37	3.98	-9.44	0	4	0	44	256.733	4	↓ MOL2 SDF SMILES Flexibase

70332418

Analogs

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Popular Name: 3-(chloromethyl)-6-[(1R,3S)-3-methoxycyclohexoxy]pyridazine 3-(chloromethyl)-6-[(1R,3S)-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)	2.37	3.83	-7.84	0	4	0	44	256.733	4	↓ MOL2 SDF SMILES Flexibase

70334959

Analogs

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Popular Name: N-[[6-[(1R,3S)-3-methoxycyclohexoxy]pyridazin-3-yl]methyl]ethanamine N-[[6-[(1R,3S)-3-methoxycyclohex…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.73	3.33	-43.83	2	5	1	61	266.365	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.73	1.95	-6.23	1	5	0	56	265.357	6	↓ MOL2 SDF SMILES Flexibase

70334962

Analogs

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Popular Name: N-[[6-[(1S,3S)-3-methoxycyclohexoxy]pyridazin-3-yl]methyl]ethanamine N-[[6-[(1S,3S)-3-methoxycyclohex…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.73	3.48	-43.36	2	5	1	61	266.365	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.73	2.1	-7.8	1	5	0	56	265.357	6	↓ MOL2 SDF SMILES Flexibase

70334964

Analogs

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Popular Name: N-[[6-[(1R,3R)-3-methoxycyclohexoxy]pyridazin-3-yl]methyl]ethanamine N-[[6-[(1R,3R)-3-methoxycyclohex…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.73	3.42	-43.2	2	5	1	61	266.365	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.73	2.04	-5.95	1	5	0	56	265.357	6	↓ MOL2 SDF SMILES Flexibase

70334966

Analogs

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Popular Name: N-[[6-[(1S,3R)-3-methoxycyclohexoxy]pyridazin-3-yl]methyl]ethanamine N-[[6-[(1S,3R)-3-methoxycyclohex…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.73	3.33	-43.87	2	5	1	61	266.365	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.73	1.95	-6.21	1	5	0	56	265.357	6	↓ MOL2 SDF SMILES Flexibase

70335112

Analogs

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Popular Name: N-[[6-[(1R,3S)-3-methoxycyclohexoxy]pyridazin-3-yl]methyl]-2-methyl-propan-2-amine N-[[6-[(1R,3S)-3-methoxycyclohex…

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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	4.28	-40.14	2	5	1	61	294.419	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.54	3.05	-5.85	1	5	0	56	293.411	6	↓ MOL2 SDF SMILES Flexibase

70335114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(1S,3S)-3-methoxycyclohexoxy]pyridazin-3-yl]methyl]-2-methyl-propan-2-amine N-[[6-[(1S,3S)-3-methoxycyclohex…

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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	4.43	-39.65	2	5	1	61	294.419	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.54	3.2	-7.46	1	5	0	56	293.411	6	↓ MOL2 SDF SMILES Flexibase

70335116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(1R,3R)-3-methoxycyclohexoxy]pyridazin-3-yl]methyl]-2-methyl-propan-2-amine N-[[6-[(1R,3R)-3-methoxycyclohex…

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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	4.37	-39.54	2	5	1	61	294.419	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.54	3.14	-5.64	1	5	0	56	293.411	6	↓ MOL2 SDF SMILES Flexibase

70335118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(1S,3R)-3-methoxycyclohexoxy]pyridazin-3-yl]methyl]-2-methyl-propan-2-amine N-[[6-[(1S,3R)-3-methoxycyclohex…

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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	4.28	-40.19	2	5	1	61	294.419	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.54	3.05	-5.88	1	5	0	56	293.411	6	↓ MOL2 SDF SMILES Flexibase

70335186

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[(1S,3R)-3-methoxycyclohexoxy]pyridazin-3-yl]methanamine [6-[(1S,3R)-3-methoxycyclohexoxy…

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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)	0.98	0.6	-50.2	3	5	1	72	238.311	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.98	0.19	-6.75	2	5	0	70	237.303	4	↓ MOL2 SDF SMILES Flexibase

70335188

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[(1S,3S)-3-methoxycyclohexoxy]pyridazin-3-yl]methanamine [6-[(1S,3S)-3-methoxycyclohexoxy…

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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)	0.98	0.69	-49.7	3	5	1	72	238.311	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.98	0.29	-6.44	2	5	0	70	237.303	4	↓ MOL2 SDF SMILES Flexibase

70335190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[(1R,3R)-3-methoxycyclohexoxy]pyridazin-3-yl]methanamine [6-[(1R,3R)-3-methoxycyclohexoxy…

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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)	0.98	0.75	-49.51	3	5	1	72	238.311	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.98	0.34	-8.33	2	5	0	70	237.303	4	↓ MOL2 SDF SMILES Flexibase

70335191

Analogs

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Popular Name: [6-[(1R,3S)-3-methoxycyclohexoxy]pyridazin-3-yl]methanamine [6-[(1R,3S)-3-methoxycyclohexoxy…

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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)	0.98	0.6	-50.12	3	5	1	72	238.311	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.98	0.19	-6.74	2	5	0	70	237.303	4	↓ MOL2 SDF SMILES Flexibase

70335311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-[(1R,3S)-3-methoxycyclohexoxy]pyridazin-3-yl]-N-methyl-methanamine 1-[6-[(1R,3S)-3-methoxycyclohexo…

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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	2.47	-44.55	2	5	1	61	252.338	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.35	1.02	-6.35	1	5	0	56	251.33	5	↓ MOL2 SDF SMILES Flexibase

70335312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-[(1S,3S)-3-methoxycyclohexoxy]pyridazin-3-yl]-N-methyl-methanamine 1-[6-[(1S,3S)-3-methoxycyclohexo…

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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	2.62	-44.24	2	5	1	61	252.338	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.35	1.17	-7.93	1	5	0	56	251.33	5	↓ MOL2 SDF SMILES Flexibase

70335313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-[(1R,3R)-3-methoxycyclohexoxy]pyridazin-3-yl]-N-methyl-methanamine 1-[6-[(1R,3R)-3-methoxycyclohexo…

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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	2.56	-43.98	2	5	1	61	252.338	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.35	1.11	-6.14	1	5	0	56	251.33	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 479282
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 = 479282 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=479282&filter.purchasability=annotated

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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": "479282"        

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