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ZINC Item

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62827352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]benzoic 3-bromo-2-[[(1R)-cyclohex-3-en-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	7.64	-45.54	2	5	-1	81	352.208	4	↓ MOL2 SDF SMILES Flexibase

62827353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]benzoic 3-bromo-2-[[(1S)-cyclohex-3-en-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	7.64	-45.13	2	5	-1	81	352.208	4	↓ MOL2 SDF SMILES Flexibase

69178891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenoxy]-N,N-diethyl-acetamide 2-[3-[[(1R)-cyclohex-3-en-1-yl]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.38	8.9	-16.15	2	6	0	71	359.47	8	↓ MOL2 SDF SMILES Flexibase

69178893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenoxy]-N,N-diethyl-acetamide 2-[3-[[(1S)-cyclohex-3-en-1-yl]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.38	8.9	-16.11	2	6	0	71	359.47	8	↓ MOL2 SDF SMILES Flexibase

69178912

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenoxy]-N-ethyl-acetamide 2-[3-[[(1R)-cyclohex-3-en-1-yl]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	5.83	-16.29	3	6	0	79	331.416	7	↓ MOL2 SDF SMILES Flexibase

69178916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenoxy]-N-ethyl-acetamide 2-[3-[[(1S)-cyclohex-3-en-1-yl]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	5.83	-16.32	3	6	0	79	331.416	7	↓ MOL2 SDF SMILES Flexibase

69178961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]-N,2-dimethyl-benzamide 3-[[(1R)-cyclohex-3-en-1-yl]meth…

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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)	2.79	5.32	-11.25	3	5	0	70	301.39	4	↓ MOL2 SDF SMILES Flexibase

69178964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]-N,2-dimethyl-benzamide 3-[[(1S)-cyclohex-3-en-1-yl]meth…

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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)	2.79	5.32	-11.21	3	5	0	70	301.39	4	↓ MOL2 SDF SMILES Flexibase

69179067

Analogs

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Popular Name: 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea 1-[[(1R)-cyclohex-3-en-1-yl]meth…

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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)	3.82	6.72	-12.66	2	5	0	60	358.36	7	↓ MOL2 SDF SMILES Flexibase

69179068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea 1-[[(1S)-cyclohex-3-en-1-yl]meth…

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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)	3.82	6.72	-12.71	2	5	0	60	358.36	7	↓ MOL2 SDF SMILES Flexibase

69179455

Analogs

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Popular Name: 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-(dimethylamino)-3-methyl-phenyl]urea 1-[[(1R)-cyclohex-3-en-1-yl]meth…

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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)	3.72	8.05	-8.48	2	4	0	44	287.407	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.72	8.17	-37.35	3	4	1	46	288.415	4	↓ MOL2 SDF SMILES Flexibase

69179458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-[4-(dimethylamino)-3-methyl-phenyl]urea 1-[[(1S)-cyclohex-3-en-1-yl]meth…

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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)	3.72	8.05	-8.48	2	4	0	44	287.407	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.72	8.17	-37.35	3	4	1	46	288.415	4	↓ MOL2 SDF SMILES Flexibase

69179522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenyl]methyl]-N-methyl-acetamide N-[[3-[[(1R)-cyclohex-3-en-1-yl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.39	7.28	-13.02	2	5	0	61	315.417	5	↓ MOL2 SDF SMILES Flexibase

69179523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenyl]methyl]-N-methyl-acetamide N-[[3-[[(1S)-cyclohex-3-en-1-yl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.39	7.28	-13.05	2	5	0	61	315.417	5	↓ MOL2 SDF SMILES Flexibase

69179577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenyl]methyl]-N-ethyl-acetamide N-[[2-[[(1R)-cyclohex-3-en-1-yl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	8.96	-10.72	2	5	0	61	329.444	6	↓ MOL2 SDF SMILES Flexibase

69179578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenyl]methyl]-N-ethyl-acetamide N-[[2-[[(1S)-cyclohex-3-en-1-yl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	8.96	-10.5	2	5	0	61	329.444	6	↓ MOL2 SDF SMILES Flexibase

69179752

Analogs

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Popular Name: 3-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]-N-propyl-benzamide 3-[[(1R)-cyclohex-3-en-1-yl]meth…

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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)	3.29	6.03	-18.93	3	5	0	70	315.417	6	↓ MOL2 SDF SMILES Flexibase

69179755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]-N-propyl-benzamide 3-[[(1S)-cyclohex-3-en-1-yl]meth…

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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)	3.29	6.03	-18.84	3	5	0	70	315.417	6	↓ MOL2 SDF SMILES Flexibase

69181347

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]-N-(3-ethoxypropyl)benzamide 3-[[(1R)-cyclohex-3-en-1-yl]meth…

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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)	3.05	6.06	-18.99	3	6	0	79	359.47	9	↓ MOL2 SDF SMILES Flexibase

69181350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]-N-(3-ethoxypropyl)benzamide 3-[[(1S)-cyclohex-3-en-1-yl]meth…

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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)	3.05	6.06	-18.92	3	6	0	79	359.47	9	↓ MOL2 SDF SMILES Flexibase

69181577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea 1-[[(1R)-cyclohex-3-en-1-yl]meth…

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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)	2.97	6.1	-11.59	2	5	0	60	318.417	8	↓ MOL2 SDF SMILES Flexibase

69181580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea 1-[[(1S)-cyclohex-3-en-1-yl]meth…

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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)	2.97	6.1	-11.57	2	5	0	60	318.417	8	↓ MOL2 SDF SMILES Flexibase

69183391

Analogs

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Popular Name: ethyl ethyl

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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)	3.91	6.42	-12.39	3	6	0	79	331.416	6	↓ MOL2 SDF SMILES Flexibase

69183395

Analogs

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Popular Name: ethyl ethyl

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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)	3.91	6.41	-12.44	3	6	0	79	331.416	6	↓ MOL2 SDF SMILES Flexibase

69183456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]-N-isopropyl-3-methyl-benzamide 4-[[(1R)-cyclohex-3-en-1-yl]meth…

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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)	3.49	7.01	-12.1	3	5	0	70	329.444	5	↓ MOL2 SDF SMILES Flexibase

69183460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]-N-isopropyl-3-methyl-benzamide 4-[[(1S)-cyclohex-3-en-1-yl]meth…

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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)	3.49	7.01	-12.08	3	5	0	70	329.444	5	↓ MOL2 SDF SMILES Flexibase

63009566

Analogs

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Popular Name: 4-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]-3-fluoro-benzoic 4-[[(1R)-cyclohex-3-en-1-yl]meth…

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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)	3.25	6.84	-48.03	2	5	-1	81	291.302	4	↓ MOL2 SDF SMILES Flexibase

63009567

Analogs

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Popular Name: 4-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]-3-fluoro-benzoic 4-[[(1S)-cyclohex-3-en-1-yl]meth…

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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)	3.25	6.84	-48.03	2	5	-1	81	291.302	4	↓ MOL2 SDF SMILES Flexibase

65575647

Analogs

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Popular Name: 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-(2-methylsulfonylphenyl)urea 1-[[(1R)-cyclohex-3-en-1-yl]meth…

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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)	2.51	4.39	-12.13	2	5	0	75	308.403	4	↓ MOL2 SDF SMILES Flexibase

65575649

Analogs

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Popular Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(2-methylsulfonylphenyl)urea 1-[[(1S)-cyclohex-3-en-1-yl]meth…

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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)	2.51	4.39	-12.12	2	5	0	75	308.403	4	↓ MOL2 SDF SMILES Flexibase

65575681

Analogs

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Popular Name: 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea 1-[[(1R)-cyclohex-3-en-1-yl]meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	5.6	-13.3	2	6	0	69	334.416	8	↓ MOL2 SDF SMILES Flexibase

65575684

Analogs

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Popular Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea 1-[[(1S)-cyclohex-3-en-1-yl]meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	5.6	-13.3	2	6	0	69	334.416	8	↓ MOL2 SDF SMILES Flexibase

65578845

Analogs

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Popular Name: N-[4-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenyl]-2-methoxy-acetamide N-[4-[[(1R)-cyclohex-3-en-1-yl]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.41	5.17	-19.65	3	6	0	79	317.389	6	↓ MOL2 SDF SMILES Flexibase

65578849

Analogs

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Popular Name: N-[4-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenyl]-2-methoxy-acetamide N-[4-[[(1S)-cyclohex-3-en-1-yl]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.41	5.17	-19.62	3	6	0	79	317.389	6	↓ MOL2 SDF SMILES Flexibase

65585122

Analogs

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Popular Name: 2-[2-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenyl]sulfanylacetamide 2-[2-[[(1R)-cyclohex-3-en-1-yl]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	4.24	-14.41	4	5	0	84	319.43	6	↓ MOL2 SDF SMILES Flexibase

65585126

Analogs

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Popular Name: 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenyl]sulfanylacetamide 2-[2-[[(1S)-cyclohex-3-en-1-yl]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	4.24	-14.41	4	5	0	84	319.43	6	↓ MOL2 SDF SMILES Flexibase

65585177

Analogs

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Popular Name: 4-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]-N-methyl-benzamide 4-[[(1R)-cyclohex-3-en-1-yl]meth…

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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	4.46	-12.54	3	5	0	70	287.363	4	↓ MOL2 SDF SMILES Flexibase

65585179

Analogs

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Popular Name: 4-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]-N-methyl-benzamide 4-[[(1S)-cyclohex-3-en-1-yl]meth…

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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	4.46	-12.5	3	5	0	70	287.363	4	↓ MOL2 SDF SMILES Flexibase

65585729

Analogs

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Popular Name: 2-[4-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenyl]-N-isopropyl-acetamide 2-[4-[[(1R)-cyclohex-3-en-1-yl]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	6.75	-16.18	3	5	0	70	329.444	6	↓ MOL2 SDF SMILES Flexibase

65585732

Analogs

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Popular Name: 2-[4-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenyl]-N-isopropyl-acetamide 2-[4-[[(1S)-cyclohex-3-en-1-yl]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	6.75	-16.24	3	5	0	70	329.444	6	↓ MOL2 SDF SMILES Flexibase

65590454

Analogs

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Popular Name: N-[3-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]-4-methyl-phenyl]propanamide N-[3-[[(1R)-cyclohex-3-en-1-yl]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.68	6.79	-13.2	3	5	0	70	315.417	5	↓ MOL2 SDF SMILES Flexibase

65590457

Analogs

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Popular Name: N-[3-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]-4-methyl-phenyl]propanamide N-[3-[[(1S)-cyclohex-3-en-1-yl]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.68	6.79	-13.24	3	5	0	70	315.417	5	↓ MOL2 SDF SMILES Flexibase

65605308

Analogs

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Popular Name: N-[3-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenyl]-2-methoxy-acetamide N-[3-[[(1R)-cyclohex-3-en-1-yl]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.38	5.17	-16.14	3	6	0	79	317.389	6	↓ MOL2 SDF SMILES Flexibase

65605312

Analogs

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Popular Name: N-[3-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]phenyl]-2-methoxy-acetamide N-[3-[[(1S)-cyclohex-3-en-1-yl]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.38	5.17	-16.2	3	6	0	79	317.389	6	↓ MOL2 SDF SMILES Flexibase

49283562

Analogs

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Popular Name: 1-(4-chloro-3-cyano-phenyl)-3-[[(1R)-cyclohex-3-en-1-yl]methyl]urea 1-(4-chloro-3-cyano-phenyl)-3-[[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.61	6.98	-12.98	2	4	0	65	289.766	3	↓ MOL2 SDF SMILES Flexibase

49283564

Analogs

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Popular Name: 1-(4-chloro-3-cyano-phenyl)-3-[[(1S)-cyclohex-3-en-1-yl]methyl]urea 1-(4-chloro-3-cyano-phenyl)-3-[[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.61	6.98	-12.92	2	4	0	65	289.766	3	↓ MOL2 SDF SMILES Flexibase

49283614

Analogs

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Popular Name: 1-(3-cyanophenyl)-3-[[(1R)-cyclohex-3-en-1-yl]methyl]urea 1-(3-cyanophenyl)-3-[[(1R)-cyclo…

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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)	2.98	6.53	-12.86	2	4	0	65	255.321	3	↓ MOL2 SDF SMILES Flexibase

49283616

Analogs

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Popular Name: 1-(3-cyanophenyl)-3-[[(1S)-cyclohex-3-en-1-yl]methyl]urea 1-(3-cyanophenyl)-3-[[(1S)-cyclo…

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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)	2.98	6.53	-12.86	2	4	0	65	255.321	3	↓ MOL2 SDF SMILES Flexibase

49283618

Analogs

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Popular Name: 4-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]benzamide 4-[[(1R)-cyclohex-3-en-1-yl]meth…

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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	2.97	-16.21	4	5	0	84	273.336	4	↓ MOL2 SDF SMILES Flexibase

49283620

Analogs

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Popular Name: 4-[[(1S)-cyclohex-3-en-1-yl]methylcarbamoylamino]benzamide 4-[[(1S)-cyclohex-3-en-1-yl]meth…

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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	2.97	-16.19	4	5	0	84	273.336	4	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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