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ZINC Item

Suppliers, Protomers, & Similar Substances

52844473

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-acetylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide N-(2-acetylphenyl)-2-[4-(3-nitro…

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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)	2.89	8.34	-13.81	1	8	0	98	382.42	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.89	10.5	-48.75	2	8	1	100	383.428	6	↓ MOL2 SDF SMILES Flexibase

52856992

Analogs

22057589

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)acetamide N-(2-cyanoethyl)-N-(4-ethoxyphen…

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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)	2.87	9.85	-14.92	0	6	0	60	392.503	8	↓ MOL2 SDF SMILES Flexibase

52870196

Analogs

Draw Identity 99% 90% 80% 70%

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Popular Name:

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	4.43	-12.84	3	6	0	79	356.401	5	↓ MOL2 SDF SMILES Flexibase

18941534

Analogs

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Popular Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[4-(isopropylsulfamoyl)phenyl]propanamide (2R)-2-[4-(3-chlorophenyl)pipera…

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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)	3.46	5.15	-14.09	2	7	0	82	465.019	7	↓ MOL2 SDF SMILES Flexibase

18941535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[4-(isopropylsulfamoyl)phenyl]propanamide (2S)-2-[4-(3-chlorophenyl)pipera…

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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)	3.46	5.17	-14.92	2	7	0	82	465.019	7	↓ MOL2 SDF SMILES Flexibase

18941558

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(isopropylsulfamoyl)phenyl]propanamide (2R)-2-[4-(2,3-dimethylphenyl)pi…

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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	6.53	-15.3	2	7	0	82	458.628	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.61	6.58	-41.1	3	7	1	83	459.636	7	↓ MOL2 SDF SMILES Flexibase

18941559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(isopropylsulfamoyl)phenyl]propanamide (2S)-2-[4-(2,3-dimethylphenyl)pi…

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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	6.58	-14.37	2	7	0	82	458.628	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.61	6.63	-41.87	3	7	1	83	459.636	7	↓ MOL2 SDF SMILES Flexibase

62462694

Analogs

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Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-cyano-4-nitro-phenyl)piperazin-1-yl]acetamide N-[4-chloro-3-(trifluoromethyl)p…

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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)	4.25	9.86	-12.62	1	8	0	105	467.835	6	↓ MOL2 SDF SMILES Flexibase

62491816

Analogs

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Popular Name: N-(4-iodophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide N-(4-iodophenyl)-2-[4-[3-(triflu…

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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)	5.06	8.77	-10.63	1	4	0	36	489.279	5	↓ MOL2 SDF SMILES Flexibase

56852008

Analogs

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Popular Name: (2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[2-[(1R)-1-methylpropyl]phenyl]propanamide (2R)-2-[4-(2-methoxyphenyl)piper…

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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)	4.41	9.66	-10.56	1	5	0	45	395.547	7	↓ MOL2 SDF SMILES Flexibase

56852009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[2-[(1S)-1-methylpropyl]phenyl]propanamide (2R)-2-[4-(2-methoxyphenyl)piper…

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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)	4.41	9.6	-9.2	1	5	0	45	395.547	7	↓ MOL2 SDF SMILES Flexibase

56852011

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[2-[(1R)-1-methylpropyl]phenyl]propanamide (2S)-2-[4-(2-methoxyphenyl)piper…

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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)	4.41	9.63	-9.31	1	5	0	45	395.547	7	↓ MOL2 SDF SMILES Flexibase

56852013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[2-[(1S)-1-methylpropyl]phenyl]propanamide (2S)-2-[4-(2-methoxyphenyl)piper…

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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)	4.41	9.63	-9.41	1	5	0	45	395.547	7	↓ MOL2 SDF SMILES Flexibase

56852036

Analogs

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Popular Name: (2S)-N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (2S)-N-(3-chlorophenyl)-2-[4-(2-…

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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)	3.73	7.37	-12.78	1	5	0	45	373.884	5	↓ MOL2 SDF SMILES Flexibase

56852037

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (2R)-N-(3-chlorophenyl)-2-[4-(2-…

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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)	3.73	7.35	-12.5	1	5	0	45	373.884	5	↓ MOL2 SDF SMILES Flexibase

56852048

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-phenyl-propanamide (2S)-2-[4-(2-methoxyphenyl)piper…

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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)	3.32	8.3	-12.2	0	5	0	36	353.466	5	↓ MOL2 SDF SMILES Flexibase

56852050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-phenyl-propanamide (2R)-2-[4-(2-methoxyphenyl)piper…

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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)	3.32	7.93	-10.37	0	5	0	36	353.466	5	↓ MOL2 SDF SMILES Flexibase

56852053

Analogs

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Popular Name: (2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide (2R)-2-[4-(2-methoxyphenyl)piper…

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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)	3.34	9.13	-10.85	1	5	0	45	381.52	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.34	11.34	-39.6	2	5	1	46	382.528	5	↓ MOL2 SDF SMILES Flexibase

56852055

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide (2S)-2-[4-(2-methoxyphenyl)piper…

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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)	3.34	9.12	-9.63	1	5	0	45	381.52	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.34	11.31	-36.5	2	5	1	46	382.528	5	↓ MOL2 SDF SMILES Flexibase

57270856

Analogs

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Popular Name: N-(2-cyanoethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(p-tolyl)acetamide N-(2-cyanoethyl)-2-[4-(4-methoxy…

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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)	2.94	9.59	-14.87	0	6	0	60	392.503	7	↓ MOL2 SDF SMILES Flexibase

57273609

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide N-(2,5-dimethoxyphenyl)-2-[4-(2-…

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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)	2.88	3.03	-13.03	2	7	0	74	371.437	6	↓ MOL2 SDF SMILES Flexibase

57273771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(p-tolyl)propanamide (2R)-2-[4-(3-methoxyphenyl)piper…

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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)	3.55	7.01	-10.52	1	5	0	45	353.466	5	↓ MOL2 SDF SMILES Flexibase

57273773

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(p-tolyl)propanamide (2S)-2-[4-(3-methoxyphenyl)piper…

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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)	3.55	7.02	-11.48	1	5	0	45	353.466	5	↓ MOL2 SDF SMILES Flexibase

57280529

Analogs

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Popular Name: N-(3-acetylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide N-(3-acetylphenyl)-2-(4-phenylpi…

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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	7.16	-18.42	1	5	0	53	337.423	5	↓ MOL2 SDF SMILES Flexibase

57280535

Analogs

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Popular Name: N-(2-ethyl-6-methyl-phenyl)-2-(4-phenylpiperazin-1-yl)acetamide N-(2-ethyl-6-methyl-phenyl)-2-(4…

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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)	3.43	8.89	-8.72	1	4	0	36	337.467	5	↓ MOL2 SDF SMILES Flexibase

57286428

Analogs

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Popular Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide N-[3-(dimethylsulfamoyl)-4-methy…

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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)	2.91	5.66	-18.92	1	7	0	73	434.537	6	↓ MOL2 SDF SMILES Flexibase

57286789

Analogs

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Popular Name: N-(2,5-difluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide N-(2,5-difluorophenyl)-2-[4-[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)	4.23	7.84	-10.68	1	4	0	36	399.363	5	↓ MOL2 SDF SMILES Flexibase

57289812

Analogs

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Popular Name: N-(2-chloro-4-fluoro-phenyl)-2-(4-phenylpiperazin-1-yl)acetamide N-(2-chloro-4-fluoro-phenyl)-2-(…

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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)	3.87	7.39	-7.15	1	4	0	36	347.821	4	↓ MOL2 SDF SMILES Flexibase

57289937

Analogs

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Popular Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,6-difluorophenyl)acetamide 2-[4-(3-chlorophenyl)piperazin-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)	3.99	7.34	-10.37	1	4	0	36	365.811	4	↓ MOL2 SDF SMILES Flexibase

57289949

Analogs

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Popular Name: N-(5-chloro-2-cyano-phenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide N-(5-chloro-2-cyano-phenyl)-2-[4…

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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)	3.63	7.73	-9.62	1	5	0	59	372.831	4	↓ MOL2 SDF SMILES Flexibase

57290071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-fluoro-phenyl)-2-(4-phenylpiperazin-1-yl)acetamide N-(5-chloro-2-fluoro-phenyl)-2-(…

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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)	3.87	7.31	-8.38	1	4	0	36	347.821	4	↓ MOL2 SDF SMILES Flexibase

57290078

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-(4-phenylpiperazin-1-yl)acetamide N-(3-chloro-4-methoxy-phenyl)-2-…

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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)	3.77	6.53	-13.27	1	5	0	45	359.857	5	↓ MOL2 SDF SMILES Flexibase

57290088

Analogs

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Popular Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide 2-[4-(3-chlorophenyl)piperazin-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)	4.09	9.4	-9.14	1	4	0	36	371.912	5	↓ MOL2 SDF SMILES Flexibase

57290105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-chloro-2-methoxy-phenyl)-2-(4-phenylpiperazin-1-yl)propanamide (2S)-N-(5-chloro-2-methoxy-pheny…

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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)	3.73	6.99	-9.76	1	5	0	45	373.884	5	↓ MOL2 SDF SMILES Flexibase

57290108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-(4-phenylpiperazin-1-yl)propanamide (2R)-N-(5-chloro-2-methoxy-pheny…

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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)	3.73	6.92	-9.51	1	5	0	45	373.884	5	↓ MOL2 SDF SMILES Flexibase

57290113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide 2-[4-(3-hydroxyphenyl)piperazin-…

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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)	3.03	3.92	-11.44	2	6	0	65	355.438	5	↓ MOL2 SDF SMILES Flexibase

57290131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(o-tolyl)piperazin-1-yl]acetamide N-(3-chloro-4-cyano-phenyl)-2-[4…

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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)	3.86	8.82	-11.05	1	5	0	59	368.868	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.86	8.85	-40.67	2	5	1	61	369.876	4	↓ MOL2 SDF SMILES Flexibase

57290136

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-cyanophenyl)propanamide (2S)-2-[4-(3-chlorophenyl)pipera…

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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)	3.43	8.01	-8.87	1	5	0	59	368.868	4	↓ MOL2 SDF SMILES Flexibase

57290139

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-cyanophenyl)propanamide (2R)-2-[4-(3-chlorophenyl)pipera…

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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)	3.43	8	-8.24	1	5	0	59	368.868	4	↓ MOL2 SDF SMILES Flexibase

57290172

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[4-(o-tolyl)piperazin-1-yl]acetamide N-(2-chlorophenyl)-2-[4-(o-tolyl…

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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)	4.13	8.63	-7.09	1	4	0	36	343.858	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.13	8.68	-32.88	2	4	1	37	344.866	4	↓ MOL2 SDF SMILES Flexibase

57290175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide (2S)-2-[4-(3-chlorophenyl)pipera…

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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)	3.73	6.97	-9.57	1	5	0	45	373.884	5	↓ MOL2 SDF SMILES Flexibase

57290177

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide (2R)-2-[4-(3-chlorophenyl)pipera…

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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)	3.73	6.99	-8.49	1	5	0	45	373.884	5	↓ MOL2 SDF SMILES Flexibase

57291639

Analogs

10177905

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-fluoro-2-methyl-phenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide N-(5-fluoro-2-methyl-phenyl)-2-[…

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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)	4.51	8.64	-13.36	1	4	0	36	395.4	5	↓ MOL2 SDF SMILES Flexibase

57291680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide 2-[4-(4-fluorophenyl)piperazin-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)	3.61	6.99	-9.15	1	4	0	36	367.346	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.61	9.13	-54.62	2	4	1	37	368.354	4	↓ MOL2 SDF SMILES Flexibase

57291789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide N-(3-fluorophenyl)-2-[4-[3-(trif…

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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)	4.11	7.74	-13.46	1	4	0	36	381.373	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.11	9.89	-51.37	2	4	1	37	382.381	5	↓ MOL2 SDF SMILES Flexibase

57291794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide N-[4-(trifluoromethyl)phenyl]-2-…

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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)	4.87	8.69	-11.52	1	4	0	36	431.38	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.87	10.87	-53.35	2	4	1	37	432.388	6	↓ MOL2 SDF SMILES Flexibase

57291801

Analogs

44880592
44880615

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide N-(3-fluorophenyl)-2-[4-(4-fluor…

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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)	3.41	6.79	-9.64	1	4	0	36	331.366	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.41	8.95	-51.11	2	4	1	37	332.374	4	↓ MOL2 SDF SMILES Flexibase

57291802

Analogs

12534668
12534669

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (2S)-N-(2,4-difluorophenyl)-2-[4…

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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)	3.48	7.3	-7.77	1	4	0	36	363.383	4	↓ MOL2 SDF SMILES Flexibase

57291803

Analogs

12534668
12534669

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (2R)-N-(2,4-difluorophenyl)-2-[4…

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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)	3.48	7.24	-7.55	1	4	0	36	363.383	4	↓ MOL2 SDF SMILES Flexibase

57291804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide N-(2,6-difluorophenyl)-2-[4-(4-f…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	6.9	-11.26	1	4	0	36	349.356	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.50	9.05	-46.6	2	4	1	37	350.364	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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