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)	2.91	7.71	-41.75	2	4	1	43	339.887	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.91	5.57	-9.26	1	4	0	42	338.879	7	↓ MOL2 SDF SMILES Flexibase

52931463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-chlorophenyl)-N-(2-dimethylaminoethyl)tetrahydropyran-4-carboxamide 4-(3-chlorophenyl)-N-(2-dimethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.15	6.33	-43.49	2	4	1	43	311.833	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.15	3.86	-9.66	1	4	0	42	310.825	5	↓ MOL2 SDF SMILES Flexibase

52931466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-4-[3-(trifluoromethyl)phenyl]tetrahydropyran-4-carboxamide N-(2-dimethylaminoethyl)-4-[3-(t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	6.86	-46.18	2	4	1	43	345.385	6	↓ MOL2 SDF SMILES Flexibase

52931524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-chlorophenyl)-N-ethyl-tetrahydropyran-4-carboxamide 4-(3-chlorophenyl)-N-ethyl-tetra…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.50	5.05	-9.2	1	3	0	38	267.756	3	↓ MOL2 SDF SMILES Flexibase

52931552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-[3-(trifluoromethyl)phenyl]tetrahydropyran-4-carboxamide N-ethyl-4-[3-(trifluoromethyl)ph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.72	5.57	-10.63	1	3	0	38	301.308	4	↓ MOL2 SDF SMILES Flexibase

52933418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-4-[3-(trifluoromethyl)phenyl]tetrahydropyran-4-carboxamide N-isobutyl-4-[3-(trifluoromethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	7.09	-10.3	1	3	0	38	329.362	5	↓ MOL2 SDF SMILES Flexibase

52937361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-chlorophenyl)-N-[3-(dimethylamino)-2,2-dimethyl-propyl]tetrahydropyran-4-carboxamide 4-(3-chlorophenyl)-N-[3-(dimethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.31	8.54	-42.26	2	4	1	43	353.914	6	↓ MOL2 SDF SMILES Flexibase

11833076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-phenyltetrahydropyran-4-yl)ethanone 1-(4-phenyltetrahydropyran-4-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.74	5.76	-6.7	0	2	0	26	204.269	2	↓ MOL2 SDF SMILES Flexibase

11833286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Phenyl-tetrahydro-pyran-4-ylamine 4-Phenyl-tetrahydro-pyran-4-ylamine

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.76	3.31	-42.96	3	2	1	37	178.255	1	↓ MOL2 SDF SMILES Flexibase

11833324

Analogs

32267624

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Phenyltetrahydro-2H-pyran-4-carbonyl chloride 4-Phenyltetrahydro-2H-pyran-4-ca…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.85	0.55	-4.27	0	2	0	26	224.687	2	↓ MOL2 SDF SMILES Flexibase

11833398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-methoxyphenyl)tetrahydropyran-4-yl]ethanone 1-[4-(4-methoxyphenyl)tetrahydro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	5.07	-7.64	0	3	0	36	234.295	3	↓ MOL2 SDF SMILES Flexibase

11833625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-Methoxyphenyl)oxan-4-amine hydrochloride 4-(4-Methoxyphenyl)oxan-4-amine …

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.82	2.59	-45.65	3	3	1	46	208.281	2	↓ MOL2 SDF SMILES Flexibase

11833660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methoxyphenyl)tetrahydropyran-4-carbonyl 4-(4-methoxyphenyl)tetrahydropyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	0.56	-5.55	0	3	0	36	254.713	3	↓ MOL2 SDF SMILES Flexibase

11833737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-methoxyphenyl)tetrahydropyran-4-yl]ethanone 1-[4-(2-methoxyphenyl)tetrahydro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.75	5.82	-7.49	0	3	0	36	234.295	3	↓ MOL2 SDF SMILES Flexibase

11833942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-Methoxyphenyl)oxan-4-amine hydrochloride 4-(2-Methoxyphenyl)oxan-4-amine …

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.77	3.03	-43.54	3	3	1	46	208.281	2	↓ MOL2 SDF SMILES Flexibase

11833983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-methoxyphenyl)tetrahydropyran-4-carbonyl 4-(2-methoxyphenyl)tetrahydropyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.86	0.97	-6.31	0	3	0	36	254.713	3	↓ MOL2 SDF SMILES Flexibase

53429714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-chlorophenyl)-N-[3-(methanesulfonamido)propyl]tetrahydropyran-4-carboxamide 4-(3-chlorophenyl)-N-[3-(methane…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.56	1.96	-18.96	2	6	0	85	374.89	7	↓ MOL2 SDF SMILES Flexibase

36155114

Analogs

36155123

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-nitrophenyl)tetrahydropyran-4-carboxylic 4-(4-nitrophenyl)tetrahydropyran…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.57	6.63	-38.9	0	6	-1	95	250.23	3	↓ MOL2 SDF SMILES Flexibase

36155123

Analogs

36155114

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-aminophenyl)tetrahydropyran-4-carboxylic 4-(4-aminophenyl)tetrahydropyran…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	3.79	-45.42	2	4	-1	75	220.248	2	↓ MOL2 SDF SMILES Flexibase

53668704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(3-bromophenyl)tetrahydropyran-4-yl]methyl]butane-1-sulfonamide N-[[4-(3-bromophenyl)tetrahydrop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.75	5.33	-10.89	1	4	0	55	390.343	7	↓ MOL2 SDF SMILES Flexibase

62606961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chloro-4-fluoro-phenyl)tetrahydropyran-4-carbonitrile 4-(2-chloro-4-fluoro-phenyl)tetr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.92	5.84	-4.13	0	2	0	33	239.677	1	↓ MOL2 SDF SMILES Flexibase

62606976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chloro-4-fluoro-phenyl)tetrahydropyran-4-carboxylic 4-(2-chloro-4-fluoro-phenyl)tetr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	6.24	-40.95	0	3	-1	49	257.668	2	↓ MOL2 SDF SMILES Flexibase

62606987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-chloro-4-fluoro-phenyl)tetrahydropyran-4-yl]methanamine [4-(2-chloro-4-fluoro-phenyl)tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.94	3.87	-53.63	3	2	1	37	244.717	2	↓ MOL2 SDF SMILES Flexibase

62607049

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chloro-4-fluoro-phenyl)tetrahydropyran-4-amine 4-(2-chloro-4-fluoro-phenyl)tetr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	3.64	-49.67	3	2	1	37	230.69	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.53	3.42	-3.81	2	2	0	35	229.682	1	↓ MOL2 SDF SMILES Flexibase

62608933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-chloro-4-fluoro-phenyl)tetrahydropyran-4-yl]-N-methyl-methanamine 1-[4-(2-chloro-4-fluoro-phenyl)t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.92	5.75	-46.66	2	2	1	26	258.744	3	↓ MOL2 SDF SMILES Flexibase

62608954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(2-chloro-4-fluoro-phenyl)tetrahydropyran-4-yl]methyl]ethanamine N-[[4-(2-chloro-4-fluoro-phenyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	6.59	-45.38	2	2	1	26	272.771	4	↓ MOL2 SDF SMILES Flexibase

62608977

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(2-chloro-4-fluoro-phenyl)tetrahydropyran-4-yl]methyl]propan-1-amine N-[[4-(2-chloro-4-fluoro-phenyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	7.35	-46.22	2	2	1	26	286.798	5	↓ MOL2 SDF SMILES Flexibase

62608991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(2-chloro-4-fluoro-phenyl)tetrahydropyran-4-yl]methyl]propan-2-amine N-[[4-(2-chloro-4-fluoro-phenyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.59	7.11	-42.7	2	2	1	26	286.798	4	↓ MOL2 SDF SMILES Flexibase

62609028

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(2-chloro-4-fluoro-phenyl)tetrahydropyran-4-yl]methyl]-2-methyl-propan-2-amine N-[[4-(2-chloro-4-fluoro-phenyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.11	7.51	-40.51	2	2	1	26	300.825	4	↓ MOL2 SDF SMILES Flexibase

62609042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(2-chloro-4-fluoro-phenyl)tetrahydropyran-4-yl]methyl]-2-methyl-propan-1-amine N-[[4-(2-chloro-4-fluoro-phenyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.69	8.05	-45.59	2	2	1	26	300.825	5	↓ MOL2 SDF SMILES Flexibase

62609064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(2-chloro-4-fluoro-phenyl)tetrahydropyran-4-yl]methyl]-2-methoxy-ethanamine N-[[4-(2-chloro-4-fluoro-phenyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.55	5.74	-45.9	2	3	1	35	302.797	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.55	4.32	-3.58	1	3	0	30	301.789	6	↓ MOL2 SDF SMILES Flexibase

54817677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(3-chlorophenyl)tetrahydropyran-4-yl]methylcarbamoylamino]-N-propyl-propanamide 3-[[4-(3-chlorophenyl)tetrahydro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	4.46	-19.15	3	6	0	79	381.904	8	↓ MOL2 SDF SMILES Flexibase

54818276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(3-chlorophenyl)tetrahydropyran-4-yl]methyl]-3-(2-diethylaminoethyl)urea 1-[[4-(3-chlorophenyl)tetrahydro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.24	7.21	-42.31	3	5	1	55	368.929	8	↓ MOL2 SDF SMILES Flexibase

54818308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(3-chlorophenyl)tetrahydropyran-4-yl]methyl]-3-(3-isobutoxypropyl)urea 1-[[4-(3-chlorophenyl)tetrahydro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.83	6.86	-9.99	2	5	0	60	382.932	9	↓ MOL2 SDF SMILES Flexibase

54818400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-(3-chlorophenyl)tetrahydropyran-4-yl]methylcarbamoylamino]-N-ethyl-propanamide (2R)-2-[[4-(3-chlorophenyl)tetra…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	3.92	-10.92	3	6	0	79	367.877	6	↓ MOL2 SDF SMILES Flexibase

54818402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-(3-chlorophenyl)tetrahydropyran-4-yl]methylcarbamoylamino]-N-ethyl-propanamide (2S)-2-[[4-(3-chlorophenyl)tetra…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	3.92	-11.41	3	6	0	79	367.877	6	↓ MOL2 SDF SMILES Flexibase

54818418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(3-chlorophenyl)tetrahydropyran-4-yl]methyl]-3-[(2R)-2-hydroxy-3-isobutoxy-propyl]urea 1-[[4-(3-chlorophenyl)tetrahydro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.92	3.75	-10.69	3	6	0	80	398.931	9	↓ MOL2 SDF SMILES Flexibase

54818420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(3-chlorophenyl)tetrahydropyran-4-yl]methyl]-3-[(2S)-2-hydroxy-3-isobutoxy-propyl]urea 1-[[4-(3-chlorophenyl)tetrahydro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.92	3.81	-10.6	3	6	0	80	398.931	9	↓ MOL2 SDF SMILES Flexibase

54818452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-[[4-(3-chlorophenyl)tetrahydropyran-4-yl]methylcarbamoyl-methyl-amino]acetamide N-tert-butyl-2-[[4-(3-chlorophen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.04	7	-14.77	2	6	0	71	395.931	6	↓ MOL2 SDF SMILES Flexibase

54818493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(3-chlorophenyl)tetrahydropyran-4-yl]methyl]-3-[(1R)-1,2-dimethylpropyl]urea 1-[[4-(3-chlorophenyl)tetrahydro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.91	6.58	-9.7	2	4	0	50	338.879	5	↓ MOL2 SDF SMILES Flexibase

54818617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(3-chlorophenyl)tetrahydropyran-4-yl]methyl]-1-ethyl-1-(2-methylallyl)urea 3-[[4-(3-chlorophenyl)tetrahydro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.82	9.13	-10.15	1	4	0	42	350.89	6	↓ MOL2 SDF SMILES Flexibase

54818651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(3-chlorophenyl)tetrahydropyran-4-yl]methyl]-3-[3-(diethylamino)propyl]urea 1-[[4-(3-chlorophenyl)tetrahydro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.51	8.01	-43.49	3	5	1	55	382.956	9	↓ MOL2 SDF SMILES Flexibase

54818776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(3-chlorophenyl)tetrahydropyran-4-yl]methyl]-3-isopentyl-urea 1-[[4-(3-chlorophenyl)tetrahydro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.11	6.62	-9.69	2	4	0	50	338.879	6	↓ MOL2 SDF SMILES Flexibase

54819061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(3-chlorophenyl)tetrahydropyran-4-yl]methyl]-3-[(2S)-2-(diethylamino)propyl]urea 1-[[4-(3-chlorophenyl)tetrahydro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.57	7.8	-42.52	3	5	1	55	382.956	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 15776
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 = 15776 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=15776&filter.purchasability=annotated

Embed Link to Results

<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": "15776"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

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

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

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

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

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations