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)	3.44	8.1	-58.81	1	4	-1	69	280.388	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.44	6.79	-10.48	2	4	0	66	281.396	4	↓ MOL2 SDF SMILES Flexibase

52336471

Analogs

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Popular Name: (1S,2R)-2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[[(1R)-1-cyclohexyleth…

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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)	3.44	8.38	-60.06	1	4	-1	69	280.388	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.44	7.07	-10.78	2	4	0	66	281.396	4	↓ MOL2 SDF SMILES Flexibase

52336474

Analogs

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Popular Name: (1S,2S)-2-[[(1S)-1-cyclohexylethyl]carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[[(1S)-1-cyclohexyleth…

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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)	3.44	9.08	-58.22	1	4	-1	69	280.388	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.44	7.05	-10.38	2	4	0	66	281.396	4	↓ MOL2 SDF SMILES Flexibase

52336476

Analogs

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Popular Name: (1S,2S)-2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[[(1R)-1-cyclohexyleth…

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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)	3.44	9.35	-58.17	1	4	-1	69	280.388	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.44	7.33	-10.45	2	4	0	66	281.396	4	↓ MOL2 SDF SMILES Flexibase

52336567

Analogs

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Popular Name: (1S,2R)-2-[[(1S)-1-cyclohexylpropyl]carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[[(1S)-1-cyclohexylpro…

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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)	3.97	8.98	-57.89	1	4	-1	69	294.415	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.97	7.46	-9.15	2	4	0	66	295.423	5	↓ MOL2 SDF SMILES Flexibase

52336570

Analogs

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Popular Name: (1S,2R)-2-[[(1R)-1-cyclohexylpropyl]carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[[(1R)-1-cyclohexylpro…

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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)	3.97	8.95	-58.41	1	4	-1	69	294.415	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.97	7.54	-9.4	2	4	0	66	295.423	5	↓ MOL2 SDF SMILES Flexibase

52336573

Analogs

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Popular Name: (1S,2S)-2-[[(1S)-1-cyclohexylpropyl]carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[[(1S)-1-cyclohexylpro…

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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)	3.97	9.91	-57.81	1	4	-1	69	294.415	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.97	7.89	-9.44	2	4	0	66	295.423	5	↓ MOL2 SDF SMILES Flexibase

52336576

Analogs

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Popular Name: (1S,2S)-2-[[(1R)-1-cyclohexylpropyl]carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[[(1R)-1-cyclohexylpro…

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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)	3.97	9.83	-54.87	1	4	-1	69	294.415	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.97	7.81	-8.67	2	4	0	66	295.423	5	↓ MOL2 SDF SMILES Flexibase

52340710

Analogs

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Popular Name: 1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexanecarboxamide 1-(aminomethyl)-N-[(1S)-1-cycloh…

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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)	3.16	5.46	-47.49	4	3	1	57	267.437	4	↓ MOL2 SDF SMILES Flexibase

52340712

Analogs

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Popular Name: 1-(aminomethyl)-N-[(1R)-1-cyclohexylethyl]cyclohexanecarboxamide 1-(aminomethyl)-N-[(1R)-1-cycloh…

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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)	3.16	5.74	-47.33	4	3	1	57	267.437	4	↓ MOL2 SDF SMILES Flexibase

52340786

Analogs

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Popular Name: 1-(aminomethyl)-N-[(1S)-1-cyclohexylpropyl]cyclohexanecarboxamide 1-(aminomethyl)-N-[(1S)-1-cycloh…

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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)	3.70	6.25	-47.83	4	3	1	57	281.464	5	↓ MOL2 SDF SMILES Flexibase

52340788

Analogs

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Popular Name: 1-(aminomethyl)-N-[(1R)-1-cyclohexylpropyl]cyclohexanecarboxamide 1-(aminomethyl)-N-[(1R)-1-cycloh…

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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)	3.70	6.61	-47.18	4	3	1	57	281.464	5	↓ MOL2 SDF SMILES Flexibase

52342238

Analogs

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Popular Name: 4-amino-N-[(1S)-1-cyclohexylethyl]cyclohexanecarboxamide 4-amino-N-[(1S)-1-cyclohexylethy…

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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)	2.21	5.02	-49.84	4	3	1	57	253.41	3	↓ MOL2 SDF SMILES Flexibase

52342239

Analogs

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Popular Name: 4-amino-N-[(1R)-1-cyclohexylethyl]cyclohexanecarboxamide 4-amino-N-[(1R)-1-cyclohexylethy…

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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)	2.21	5.31	-50	4	3	1	57	253.41	3	↓ MOL2 SDF SMILES Flexibase

52342307

Analogs

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Popular Name: 1-amino-N-[(1S)-1-cyclohexylethyl]cyclohexanecarboxamide 1-amino-N-[(1S)-1-cyclohexylethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	4.96	-50.66	4	3	1	57	253.41	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.42	4.69	-4.82	3	3	0	55	252.402	3	↓ MOL2 SDF SMILES Flexibase

52342309

Analogs

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Popular Name: 1-amino-N-[(1R)-1-cyclohexylethyl]cyclohexanecarboxamide 1-amino-N-[(1R)-1-cyclohexylethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	5.24	-50.91	4	3	1	57	253.41	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.42	5.3	-6.85	3	3	0	55	252.402	3	↓ MOL2 SDF SMILES Flexibase

52342699

Analogs

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Popular Name: 4-amino-N-[(1S)-1-cyclohexylpropyl]cyclohexanecarboxamide 4-amino-N-[(1S)-1-cyclohexylprop…

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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)	2.75	5.9	-48.98	4	3	1	57	267.437	4	↓ MOL2 SDF SMILES Flexibase

52342701

Analogs

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Popular Name: 4-amino-N-[(1R)-1-cyclohexylpropyl]cyclohexanecarboxamide 4-amino-N-[(1R)-1-cyclohexylprop…

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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)	2.75	6.02	-48.87	4	3	1	57	267.437	4	↓ MOL2 SDF SMILES Flexibase

52342758

Analogs

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Popular Name: 1-amino-N-[(1S)-1-cyclohexylpropyl]cyclohexanecarboxamide 1-amino-N-[(1S)-1-cyclohexylprop…

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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)	3.96	5.83	-50.74	4	3	1	57	267.437	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.96	5.91	-6.25	3	3	0	55	266.429	4	↓ MOL2 SDF SMILES Flexibase

52342760

Analogs

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Popular Name: 1-amino-N-[(1R)-1-cyclohexylpropyl]cyclohexanecarboxamide 1-amino-N-[(1R)-1-cyclohexylprop…

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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)	3.96	5.96	-50.84	4	3	1	57	267.437	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.96	5.7	-3.96	3	3	0	55	266.429	4	↓ MOL2 SDF SMILES Flexibase

52343095

Analogs

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Popular Name: 1-cyano-N-[(1S)-1-cyclohexylethyl]cyclohexanecarboxamide 1-cyano-N-[(1S)-1-cyclohexylethy…

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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)	4.14	7.6	-6.42	1	3	0	53	262.397	3	↓ MOL2 SDF SMILES Flexibase

52343096

Analogs

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Popular Name: 1-cyano-N-[(1R)-1-cyclohexylethyl]cyclohexanecarboxamide 1-cyano-N-[(1R)-1-cyclohexylethy…

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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)	4.14	7.88	-6.43	1	3	0	53	262.397	3	↓ MOL2 SDF SMILES Flexibase

52343175

Analogs

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Popular Name: 1-cyano-N-[(1S)-1-cyclohexylpropyl]cyclohexanecarboxamide 1-cyano-N-[(1S)-1-cyclohexylprop…

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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)	4.68	8.49	-6.21	1	3	0	53	276.424	4	↓ MOL2 SDF SMILES Flexibase

52343177

Analogs

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Popular Name: 1-cyano-N-[(1R)-1-cyclohexylpropyl]cyclohexanecarboxamide 1-cyano-N-[(1R)-1-cyclohexylprop…

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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)	4.68	8.61	-5.67	1	3	0	53	276.424	4	↓ MOL2 SDF SMILES Flexibase

52343295

Analogs

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Popular Name: 1-carbamothioyl-N-[(1S)-1-cyclohexylethyl]cyclohexanecarboxamide 1-carbamothioyl-N-[(1S)-1-cycloh…

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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)	3.27	6.41	-4.97	3	3	0	55	296.48	4	↓ MOL2 SDF SMILES Flexibase

52343297

Analogs

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Popular Name: 1-carbamothioyl-N-[(1R)-1-cyclohexylethyl]cyclohexanecarboxamide 1-carbamothioyl-N-[(1R)-1-cycloh…

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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)	3.27	6.7	-5.02	3	3	0	55	296.48	4	↓ MOL2 SDF SMILES Flexibase

52343369

Analogs

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Popular Name: 1-carbamothioyl-N-[(1S)-1-cyclohexylpropyl]cyclohexanecarboxamide 1-carbamothioyl-N-[(1S)-1-cycloh…

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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)	3.81	7.18	-4.51	3	3	0	55	310.507	5	↓ MOL2 SDF SMILES Flexibase

52343371

Analogs

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Popular Name: 1-carbamothioyl-N-[(1R)-1-cyclohexylpropyl]cyclohexanecarboxamide 1-carbamothioyl-N-[(1R)-1-cycloh…

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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)	3.81	7.44	-4.4	3	3	0	55	310.507	5	↓ MOL2 SDF SMILES Flexibase

52344507

Analogs

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Popular Name: N-[(1S)-1-cyclohexylethyl]-1-[(Z)-N'-hydroxycarbamimidoyl]cyclohexanecarboxamide N-[(1S)-1-cyclohexylethyl]-1-[(Z…

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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)	3.37	4.02	-4.54	4	5	0	88	295.427	4	↓ MOL2 SDF SMILES Flexibase

52344508

Analogs

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Popular Name: N-[(1R)-1-cyclohexylethyl]-1-[(Z)-N'-hydroxycarbamimidoyl]cyclohexanecarboxamide N-[(1R)-1-cyclohexylethyl]-1-[(Z…

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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)	3.37	4.3	-4.82	4	5	0	88	295.427	4	↓ MOL2 SDF SMILES Flexibase

55087223

Analogs

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Popular Name: (1R,2S)-2-amino-N-(cyclohexylmethyl)cyclohexanecarboxamide (1R,2S)-2-amino-N-(cyclohexylmet…

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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)	2.35	4.57	-38.77	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55087225

Analogs

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Popular Name: (1S,2S)-2-amino-N-(cyclohexylmethyl)cyclohexanecarboxamide (1S,2S)-2-amino-N-(cyclohexylmet…

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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)	2.35	4.7	-36.23	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55087226

Analogs

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Popular Name: (1R,2R)-2-amino-N-(cyclohexylmethyl)cyclohexanecarboxamide (1R,2R)-2-amino-N-(cyclohexylmet…

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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)	2.35	4.7	-36.25	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55087228

Analogs

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Popular Name: (1S,2R)-2-amino-N-(cyclohexylmethyl)cyclohexanecarboxamide (1S,2R)-2-amino-N-(cyclohexylmet…

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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)	2.35	4.57	-38.66	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55087230

Analogs

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Popular Name: (1R,3S)-3-amino-N-(cyclohexylmethyl)cyclohexanecarboxamide (1R,3S)-3-amino-N-(cyclohexylmet…

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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)	2.12	4.52	-44.97	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55087232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-amino-N-(cyclohexylmethyl)cyclohexanecarboxamide (1S,3S)-3-amino-N-(cyclohexylmet…

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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)	2.12	4.34	-38.97	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55087234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-amino-N-(cyclohexylmethyl)cyclohexanecarboxamide (1R,3R)-3-amino-N-(cyclohexylmet…

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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)	2.12	4.34	-38.98	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55087236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-amino-N-(cyclohexylmethyl)cyclohexanecarboxamide (1S,3R)-3-amino-N-(cyclohexylmet…

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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)	2.12	4.52	-44.94	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55088257

Analogs

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Popular Name: (1R,3S)-3-amino-N-[(1S)-1-cyclohexylethyl]cyclohexanecarboxamide (1R,3S)-3-amino-N-[(1S)-1-cycloh…

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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)	2.45	5.01	-44.59	4	3	1	57	253.41	3	↓ MOL2 SDF SMILES Flexibase

55088259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-amino-N-[(1R)-1-cyclohexylethyl]cyclohexanecarboxamide (1R,3S)-3-amino-N-[(1R)-1-cycloh…

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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)	2.45	4.99	-44.53	4	3	1	57	253.41	3	↓ MOL2 SDF SMILES Flexibase

55088262

Analogs

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Popular Name: (1S,3S)-3-amino-N-[(1S)-1-cyclohexylethyl]cyclohexanecarboxamide (1S,3S)-3-amino-N-[(1S)-1-cycloh…

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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)	2.45	4.85	-38.59	4	3	1	57	253.41	3	↓ MOL2 SDF SMILES Flexibase

55088266

Analogs

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Popular Name: (1S,3S)-3-amino-N-[(1R)-1-cyclohexylethyl]cyclohexanecarboxamide (1S,3S)-3-amino-N-[(1R)-1-cycloh…

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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)	2.45	5.13	-38.56	4	3	1	57	253.41	3	↓ MOL2 SDF SMILES Flexibase

55088268

Analogs

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Popular Name: (1R,2S)-2-amino-N-[(1S)-1-cyclohexylpropyl]cyclohexanecarboxamide (1R,2S)-2-amino-N-[(1S)-1-cycloh…

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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)	3.22	5.97	-38.35	4	3	1	57	267.437	4	↓ MOL2 SDF SMILES Flexibase

55088270

Analogs

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Popular Name: (1R,2S)-2-amino-N-[(1R)-1-cyclohexylpropyl]cyclohexanecarboxamide (1R,2S)-2-amino-N-[(1R)-1-cycloh…

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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)	3.22	5.93	-38.4	4	3	1	57	267.437	4	↓ MOL2 SDF SMILES Flexibase

55088273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-amino-N-[(1S)-1-cyclohexylpropyl]cyclohexanecarboxamide (1S,2S)-2-amino-N-[(1S)-1-cycloh…

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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)	3.22	6.09	-36.15	4	3	1	57	267.437	4	↓ MOL2 SDF SMILES Flexibase

55088276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-amino-N-[(1R)-1-cyclohexylpropyl]cyclohexanecarboxamide (1S,2S)-2-amino-N-[(1R)-1-cycloh…

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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)	3.22	6.2	-36.1	4	3	1	57	267.437	4	↓ MOL2 SDF SMILES Flexibase

55088279

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-amino-N-[(1S)-1-cyclohexylpropyl]cyclohexanecarboxamide (1R,3S)-3-amino-N-[(1S)-1-cycloh…

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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	5.9	-43.85	4	3	1	57	267.437	4	↓ MOL2 SDF SMILES Flexibase

55088282

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-amino-N-[(1R)-1-cyclohexylpropyl]cyclohexanecarboxamide (1R,3S)-3-amino-N-[(1R)-1-cycloh…

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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	5.9	-43.85	4	3	1	57	267.437	4	↓ MOL2 SDF SMILES Flexibase

55088284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-amino-N-[(1S)-1-cyclohexylpropyl]cyclohexanecarboxamide (1S,3S)-3-amino-N-[(1S)-1-cycloh…

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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	5.66	-38.26	4	3	1	57	267.437	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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