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)	3.10	5.91	-57.55	4	3	1	57	279.379	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.10	5.63	-8.51	3	3	0	55	278.371	4	↓ MOL2 SDF SMILES Flexibase

62033766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]cyclohexanecarboxamide 1-amino-N-[(1R)-2-(4-fluoropheny…

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)	3.10	5.91	-57.48	4	3	1	57	279.379	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.10	5.63	-8.5	3	3	0	55	278.371	4	↓ MOL2 SDF SMILES Flexibase

35367145

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]cyclohexanecarboxamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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)	1.60	2.35	-8.65	4	4	0	75	262.353	4	↓ MOL2 SDF SMILES Flexibase

35367146

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]cyclohexanecarboxamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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)	1.60	2.45	-8.61	4	4	0	75	262.353	4	↓ MOL2 SDF SMILES Flexibase

11798178

Analogs

11959515
11959520
11959524
11959529

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[2-(4-hexoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2R)-2-[2-(4-hexoxyphenyl)eth…

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)	5.13	-0.33	-62.85	1	5	-1	78	374.501	11	↓ MOL2 SDF SMILES Flexibase

11798181

Analogs

11959515
11959520
11959524
11959529

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[2-(4-hexoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2S)-2-[2-(4-hexoxyphenyl)eth…

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)	5.13	-0.15	-63.56	1	5	-1	78	374.501	11	↓ MOL2 SDF SMILES Flexibase

11798183

Analogs

11959515
11959520
11959524
11959529

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[2-(4-hexoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2R)-2-[2-(4-hexoxyphenyl)eth…

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)	5.13	-0.15	-63.87	1	5	-1	78	374.501	11	↓ MOL2 SDF SMILES Flexibase

11798185

Analogs

11959515
11959520
11959524
11959529

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[2-(4-hexoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2S)-2-[2-(4-hexoxyphenyl)eth…

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)	5.13	-0.33	-62.45	1	5	-1	78	374.501	11	↓ MOL2 SDF SMILES Flexibase

11798669

Analogs

11828958
11828963
11828966
11828971

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[2-(3-ethoxy-4-propoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2R)-2-[2-(3-ethoxy-4-propoxy…

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)	3.52	-0.36	-64.82	1	6	-1	88	376.473	10	↓ MOL2 SDF SMILES Flexibase

11798670

Analogs

11828958
11828963
11828966
11828971

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[2-(3-ethoxy-4-propoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2S)-2-[2-(3-ethoxy-4-propoxy…

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)	3.52	-0.18	-65.8	1	6	-1	88	376.473	10	↓ MOL2 SDF SMILES Flexibase

11798671

Analogs

11828958
11828963
11828966
11828971

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[2-(3-ethoxy-4-propoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2R)-2-[2-(3-ethoxy-4-propoxy…

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)	3.52	-0.18	-65.82	1	6	-1	88	376.473	10	↓ MOL2 SDF SMILES Flexibase

11798673

Analogs

11828958
11828963
11828966
11828971

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[2-(3-ethoxy-4-propoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2S)-2-[2-(3-ethoxy-4-propoxy…

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)	3.52	-0.36	-64.85	1	6	-1	88	376.473	10	↓ MOL2 SDF SMILES Flexibase

11798945

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[2-(2-butoxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2R)-2-[2-(2-butoxy-4-methoxy…

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)	4.10	-0.47	-66.11	1	6	-1	88	376.473	10	↓ MOL2 SDF SMILES Flexibase

11798947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[2-(2-butoxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2S)-2-[2-(2-butoxy-4-methoxy…

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)	4.10	-0.29	-64.81	1	6	-1	88	376.473	10	↓ MOL2 SDF SMILES Flexibase

11798950

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[2-(2-butoxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2R)-2-[2-(2-butoxy-4-methoxy…

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)	4.10	-0.29	-66.99	1	6	-1	88	376.473	10	↓ MOL2 SDF SMILES Flexibase

11798952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[2-(2-butoxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2S)-2-[2-(2-butoxy-4-methoxy…

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)	4.10	-0.48	-63.67	1	6	-1	88	376.473	10	↓ MOL2 SDF SMILES Flexibase

11800404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[2-[3-(3-dimethylaminopropoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2R)-2-[2-[3-(3-dimethylamino…

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)	2.96	-0.13	-86.6	2	6	0	83	376.497	10	↓ MOL2 SDF SMILES Flexibase

11800406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[2-[3-(3-dimethylaminopropoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2S)-2-[2-[3-(3-dimethylamino…

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)	2.96	0.06	-87.6	2	6	0	83	376.497	10	↓ MOL2 SDF SMILES Flexibase

11800408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[2-[3-(3-dimethylaminopropoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2R)-2-[2-[3-(3-dimethylamino…

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)	2.96	0.06	-87.52	2	6	0	83	376.497	10	↓ MOL2 SDF SMILES Flexibase

11800410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[2-[3-(3-dimethylaminopropoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2S)-2-[2-[3-(3-dimethylamino…

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)	2.96	-0.13	-86.64	2	6	0	83	376.497	10	↓ MOL2 SDF SMILES Flexibase

11801574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[2-(2-ethoxy-3-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2R)-2-[2-(2-ethoxy-3-methoxy…

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)	2.82	-0.32	-68.81	1	6	-1	88	348.419	8	↓ MOL2 SDF SMILES Flexibase

11801576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[2-(2-ethoxy-3-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2S)-2-[2-(2-ethoxy-3-methoxy…

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)	2.82	-0.13	-67.19	1	6	-1	88	348.419	8	↓ MOL2 SDF SMILES Flexibase

11801578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[2-(2-ethoxy-3-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2R)-2-[2-(2-ethoxy-3-methoxy…

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)	2.82	-0.13	-69.75	1	6	-1	88	348.419	8	↓ MOL2 SDF SMILES Flexibase

11801580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[2-(2-ethoxy-3-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2S)-2-[2-(2-ethoxy-3-methoxy…

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)	2.82	-0.32	-65.92	1	6	-1	88	348.419	8	↓ MOL2 SDF SMILES Flexibase

19436339

Analogs

37815002
37815051
37815612

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-phenethyl-cyclohexane-1-carboxamide 1-amino-N-phenethyl-cyclohexane-…

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)	2.61	5.14	-57.71	4	3	1	57	247.362	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.61	4.79	-8.98	3	3	0	55	246.354	4	↓ MOL2 SDF SMILES Flexibase

11822856

Analogs

11822858
11822862
11822864

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[2-(3-hydroxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2R)-2-[2-(3-hydroxy-4-methox…

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)	1.96	-2.41	-65.27	2	6	-1	99	320.365	6	↓ MOL2 SDF SMILES Flexibase

11822858

Analogs

11822862
11822864
11822856

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[2-(3-hydroxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2S)-2-[2-(3-hydroxy-4-methox…

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)	1.96	-2.23	-66.31	2	6	-1	99	320.365	6	↓ MOL2 SDF SMILES Flexibase

11822862

Analogs

11822864
11822856
11822858

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[2-(3-hydroxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2R)-2-[2-(3-hydroxy-4-methox…

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)	1.96	-2.23	-66.31	2	6	-1	99	320.365	6	↓ MOL2 SDF SMILES Flexibase

11822864

Analogs

11822856
11822858
11822862

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[2-(3-hydroxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2S)-2-[2-(3-hydroxy-4-methox…

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)	1.96	-2.41	-65.32	2	6	-1	99	320.365	6	↓ MOL2 SDF SMILES Flexibase

11828440

Analogs

11828444
11828448
11828453

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[2-(3-methoxy-2-propoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2R)-2-[2-(3-methoxy-2-propox…

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)	3.32	-0.24	-68.89	1	6	-1	88	362.446	9	↓ MOL2 SDF SMILES Flexibase

11828444

Analogs

11828448
11828453
11828440

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[2-(3-methoxy-2-propoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2S)-2-[2-(3-methoxy-2-propox…

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)	3.32	-0.05	-67.05	1	6	-1	88	362.446	9	↓ MOL2 SDF SMILES Flexibase

11828448

Analogs

11828453
11828440
11828444

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[2-(3-methoxy-2-propoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2R)-2-[2-(3-methoxy-2-propox…

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)	3.32	-0.06	-69.83	1	6	-1	88	362.446	9	↓ MOL2 SDF SMILES Flexibase

11828453

Analogs

11828440
11828444
11828448

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[2-(3-methoxy-2-propoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2S)-2-[2-(3-methoxy-2-propox…

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)	3.32	-0.24	-65.76	1	6	-1	88	362.446	9	↓ MOL2 SDF SMILES Flexibase

11828508

Analogs

11828516
11828520
11828523
11828542
11828545

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[2-[2-(2-dimethylaminoethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2R)-2-[2-[2-(2-dimethylamino…

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)	2.66	0.02	-75.68	2	6	0	83	362.47	9	↓ MOL2 SDF SMILES Flexibase

11828516

Analogs

11828520
11828523
11828542
11828545
11828547

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[2-[2-(2-dimethylaminoethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2S)-2-[2-[2-(2-dimethylamino…

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)	2.66	0.17	-86.77	2	6	0	83	362.47	9	↓ MOL2 SDF SMILES Flexibase

11828520

Analogs

11828523
11828542
11828545
11828547
11828550

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[2-[2-(2-dimethylaminoethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2R)-2-[2-[2-(2-dimethylamino…

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)	2.66	0.17	-77.06	2	6	0	83	362.47	9	↓ MOL2 SDF SMILES Flexibase

11828523

Analogs

11828542
11828545
11828547
11828550
11828508

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[2-[2-(2-dimethylaminoethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2S)-2-[2-[2-(2-dimethylamino…

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)	2.66	0.03	-87.17	2	6	0	83	362.47	9	↓ MOL2 SDF SMILES Flexibase

11828542

Analogs

11828545
11828547
11828550
11828508
11828516

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[2-[2-(2-diethylaminoethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2R)-2-[2-[2-(2-diethylaminoe…

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)	3.41	0.13	-73.45	2	6	0	83	390.524	11	↓ MOL2 SDF SMILES Flexibase

11828545

Analogs

11828547
11828550
11828508
11828516
11828520

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[2-[2-(2-diethylaminoethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2S)-2-[2-[2-(2-diethylaminoe…

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)	3.41	0.31	-84.4	2	6	0	83	390.524	11	↓ MOL2 SDF SMILES Flexibase

11828547

Analogs

11828550
11828508
11828516
11828520

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[2-[2-(2-diethylaminoethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2R)-2-[2-[2-(2-diethylaminoe…

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)	3.41	0.31	-74.67	2	6	0	83	390.524	11	↓ MOL2 SDF SMILES Flexibase

11828550

Analogs

11828508
11828516
11828520

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[2-[2-(2-diethylaminoethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2S)-2-[2-[2-(2-diethylaminoe…

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)	3.41	0.31	-86.83	2	6	0	83	390.524	11	↓ MOL2 SDF SMILES Flexibase

11828724

Analogs

11828728
11828731
11828736
11829206
11829208

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[2-(4-butoxy-3-ethoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2R)-2-[2-(4-butoxy-3-ethoxy-…

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)	4.08	-0.24	-64.73	1	6	-1	88	390.5	11	↓ MOL2 SDF SMILES Flexibase

11828728

Analogs

11828731
11828736
11829206
11829208
11829210

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[2-(4-butoxy-3-ethoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2S)-2-[2-(4-butoxy-3-ethoxy-…

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)	4.08	-0.06	-65.71	1	6	-1	88	390.5	11	↓ MOL2 SDF SMILES Flexibase

11828731

Analogs

11828736
11829206
11829208
11829210
11829214

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[2-(4-butoxy-3-ethoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2R)-2-[2-(4-butoxy-3-ethoxy-…

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)	4.08	-0.06	-65.7	1	6	-1	88	390.5	11	↓ MOL2 SDF SMILES Flexibase

11828736

Analogs

11829206
11829208
11829210
11829214
11864606

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[2-(4-butoxy-3-ethoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2S)-2-[2-(4-butoxy-3-ethoxy-…

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)	4.08	-0.24	-64.77	1	6	-1	88	390.5	11	↓ MOL2 SDF SMILES Flexibase

11828958

Analogs

11828963
11828966
11828971
11946991
11798669

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[2-(4-methoxy-3-propoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2R)-2-[2-(4-methoxy-3-propox…

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)	3.15	-0.37	-64.87	1	6	-1	88	362.446	9	↓ MOL2 SDF SMILES Flexibase

11828963

Analogs

11828966
11828971
11946991
11828958
11798669

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[2-(4-methoxy-3-propoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1S,2S)-2-[2-(4-methoxy-3-propox…

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)	3.15	-0.19	-65.83	1	6	-1	88	362.446	9	↓ MOL2 SDF SMILES Flexibase

11828966

Analogs

11828971
11946991
11828958
11828963
11798669

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[2-(4-methoxy-3-propoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylic (1R,2R)-2-[2-(4-methoxy-3-propox…

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)	3.15	-0.19	-65.8	1	6	-1	88	362.446	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 6523
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 = 6523 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=6523&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": "6523"        

    });
</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