ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

20236940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-(2-furylmethyl)acetamide 2-[(3-bromophenyl)-methylsulfony…

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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)	2.46	3.59	-20.72	1	6	0	80	387.255	6	↓ MOL2 SDF SMILES Flexibase

20236961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-bromophenyl)-methylsulfonyl-amino]-N-(2-furylmethyl)acetamide 2-[(4-bromophenyl)-methylsulfony…

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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)	2.49	3.6	-20.7	1	6	0	80	387.255	6	↓ MOL2 SDF SMILES Flexibase

20358844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2-chlorophenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(2-chlorophenyl)amino]-N…

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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)	3.18	5.01	-9.68	2	4	0	54	278.739	5	↓ MOL2 SDF SMILES Flexibase

20358845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2-chlorophenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(2-chlorophenyl)amino]-N…

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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)	3.18	5.02	-9.68	2	4	0	54	278.739	5	↓ MOL2 SDF SMILES Flexibase

20358853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2,5-dimethylphenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(2,5-dimethylphenyl)amin…

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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	5.87	-8.55	2	4	0	54	272.348	5	↓ MOL2 SDF SMILES Flexibase

20358854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2,5-dimethylphenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(2,5-dimethylphenyl)amin…

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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	5.86	-8.57	2	4	0	54	272.348	5	↓ MOL2 SDF SMILES Flexibase

20358917

Analogs

37806129
37815104

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-anilino-N-(2-furylmethyl)propanamide (2R)-2-anilino-N-(2-furylmethyl)…

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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)	2.55	4.44	-8.39	2	4	0	54	244.294	5	↓ MOL2 SDF SMILES Flexibase

20358918

Analogs

37806129
37815104

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-anilino-N-(2-furylmethyl)propanamide (2S)-2-anilino-N-(2-furylmethyl)…

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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)	2.55	4.44	-8.49	2	4	0	54	244.294	5	↓ MOL2 SDF SMILES Flexibase

20358937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2-bromophenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(2-bromophenyl)amino]-N-…

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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	5.14	-9.7	2	4	0	54	323.19	5	↓ MOL2 SDF SMILES Flexibase

20358938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2-bromophenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(2-bromophenyl)amino]-N-…

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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	5.14	-9.72	2	4	0	54	323.19	5	↓ MOL2 SDF SMILES Flexibase

20358941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-bromophenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(4-bromophenyl)amino]-N-…

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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)	3.36	5.04	-8.45	2	4	0	54	323.19	5	↓ MOL2 SDF SMILES Flexibase

20358942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-bromophenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(4-bromophenyl)amino]-N-…

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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)	3.36	5.06	-8.52	2	4	0	54	323.19	5	↓ MOL2 SDF SMILES Flexibase

20358945

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3-bromophenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(3-bromophenyl)amino]-N-…

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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)	3.34	5.06	-9.03	2	4	0	54	323.19	5	↓ MOL2 SDF SMILES Flexibase

20358946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-bromophenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(3-bromophenyl)amino]-N-…

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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)	3.34	5.05	-7.98	2	4	0	54	323.19	5	↓ MOL2 SDF SMILES Flexibase

20358948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-(m-tolylamino)propanamide (2R)-N-(2-furylmethyl)-2-(m-toly…

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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	5.09	-8.54	2	4	0	54	258.321	5	↓ MOL2 SDF SMILES Flexibase

20358949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-furylmethyl)-2-(m-tolylamino)propanamide (2S)-N-(2-furylmethyl)-2-(m-toly…

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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)	2.98	5.09	-8.6	2	4	0	54	258.321	5	↓ MOL2 SDF SMILES Flexibase

20358952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-(o-tolylamino)propanamide (2R)-N-(2-furylmethyl)-2-(o-toly…

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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)	2.96	5.21	-8.4	2	4	0	54	258.321	5	↓ MOL2 SDF SMILES Flexibase

20358953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-furylmethyl)-2-(o-tolylamino)propanamide (2S)-N-(2-furylmethyl)-2-(o-toly…

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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)	2.96	5.22	-8.48	2	4	0	54	258.321	5	↓ MOL2 SDF SMILES Flexibase

20358957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-furylmethyl)-2-[(3-methoxyphenyl)amino]propanamide (2S)-N-(2-furylmethyl)-2-[(3-met…

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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)	2.59	3.75	-10.65	2	5	0	63	274.32	6	↓ MOL2 SDF SMILES Flexibase

20358959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-[(3-methoxyphenyl)amino]propanamide (2R)-N-(2-furylmethyl)-2-[(3-met…

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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)	2.59	3.75	-10.63	2	5	0	63	274.32	6	↓ MOL2 SDF SMILES Flexibase

20358963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-furylmethyl)-2-[(2-methoxyphenyl)amino]propanamide (2S)-N-(2-furylmethyl)-2-[(2-met…

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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)	2.56	3.87	-10.32	2	5	0	63	274.32	6	↓ MOL2 SDF SMILES Flexibase

20358964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-[(2-methoxyphenyl)amino]propanamide (2R)-N-(2-furylmethyl)-2-[(2-met…

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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)	2.56	3.86	-10.28	2	5	0	63	274.32	6	↓ MOL2 SDF SMILES Flexibase

20358967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2,3-dimethylphenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(2,3-dimethylphenyl)amin…

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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)	3.36	5.87	-8.57	2	4	0	54	272.348	5	↓ MOL2 SDF SMILES Flexibase

20358968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2,3-dimethylphenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(2,3-dimethylphenyl)amin…

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)	3.36	5.88	-8.63	2	4	0	54	272.348	5	↓ MOL2 SDF SMILES Flexibase

20358971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2,4-dimethylphenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(2,4-dimethylphenyl)amin…

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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)	3.38	5.87	-8.38	2	4	0	54	272.348	5	↓ MOL2 SDF SMILES Flexibase

20358972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2,4-dimethylphenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(2,4-dimethylphenyl)amin…

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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	5.87	-8.53	2	4	0	54	272.348	5	↓ MOL2 SDF SMILES Flexibase

20358975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3,4-dimethylphenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(3,4-dimethylphenyl)amin…

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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	5.76	-8.62	2	4	0	54	272.348	5	↓ MOL2 SDF SMILES Flexibase

20358976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3,4-dimethylphenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(3,4-dimethylphenyl)amin…

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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	5.77	-8.7	2	4	0	54	272.348	5	↓ MOL2 SDF SMILES Flexibase

20358979

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-fluorophenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(4-fluorophenyl)amino]-N…

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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)	2.72	4.49	-9.23	2	4	0	54	262.284	5	↓ MOL2 SDF SMILES Flexibase

20358980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-fluorophenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(4-fluorophenyl)amino]-N…

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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)	2.72	4.5	-9.31	2	4	0	54	262.284	5	↓ MOL2 SDF SMILES Flexibase

20358983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-ethoxyphenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(4-ethoxyphenyl)amino]-N…

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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)	2.99	4.67	-9.95	2	5	0	63	288.347	7	↓ MOL2 SDF SMILES Flexibase

20358984

Analogs

32120923
32198519
32198524

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-ethoxyphenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(4-ethoxyphenyl)amino]-N…

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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)	2.99	4.65	-9.88	2	5	0	63	288.347	7	↓ MOL2 SDF SMILES Flexibase

20358987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3,4-dichlorophenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(3,4-dichlorophenyl)amin…

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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)	3.84	5.38	-8.43	2	4	0	54	313.184	5	↓ MOL2 SDF SMILES Flexibase

20358988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3,4-dichlorophenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(3,4-dichlorophenyl)amin…

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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)	3.84	5.4	-8.55	2	4	0	54	313.184	5	↓ MOL2 SDF SMILES Flexibase

20358991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-(p-tolylamino)propanamide (2R)-N-(2-furylmethyl)-2-(p-toly…

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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)	3.00	5.08	-8.39	2	4	0	54	258.321	5	↓ MOL2 SDF SMILES Flexibase

20358992

Analogs

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Popular Name: (2S)-N-(2-furylmethyl)-2-(p-tolylamino)propanamide (2S)-N-(2-furylmethyl)-2-(p-toly…

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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)	3.00	5.09	-8.52	2	4	0	54	258.321	5	↓ MOL2 SDF SMILES Flexibase

20358995

Analogs

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Popular Name: (2R)-2-[(2,5-dichlorophenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(2,5-dichlorophenyl)amin…

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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)	3.84	5.53	-8.18	2	4	0	54	313.184	5	↓ MOL2 SDF SMILES Flexibase

20358996

Analogs

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Popular Name: (2S)-2-[(2,5-dichlorophenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(2,5-dichlorophenyl)amin…

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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)	3.84	5.54	-8.25	2	4	0	54	313.184	5	↓ MOL2 SDF SMILES Flexibase

20358999

Analogs

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Popular Name: (2S)-N-(2-furylmethyl)-2-[(4-methoxyphenyl)amino]propanamide (2S)-N-(2-furylmethyl)-2-[(4-met…

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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)	2.61	3.74	-10.04	2	5	0	63	274.32	6	↓ MOL2 SDF SMILES Flexibase

20359000

Analogs

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Popular Name: (2R)-N-(2-furylmethyl)-2-[(4-methoxyphenyl)amino]propanamide (2R)-N-(2-furylmethyl)-2-[(4-met…

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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)	2.61	3.73	-9.96	2	5	0	63	274.32	6	↓ MOL2 SDF SMILES Flexibase

20359003

Analogs

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Popular Name: (2R)-2-[(3-chlorophenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(3-chlorophenyl)amino]-N…

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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)	3.21	4.96	-9.08	2	4	0	54	278.739	5	↓ MOL2 SDF SMILES Flexibase

20359004

Analogs

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Popular Name: (2S)-2-[(3-chlorophenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(3-chlorophenyl)amino]-N…

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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)	3.21	4.94	-8.03	2	4	0	54	278.739	5	↓ MOL2 SDF SMILES Flexibase

20359007

Analogs

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Popular Name: (2R)-2-[(3-fluorophenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(3-fluorophenyl)amino]-N…

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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)	2.69	4.5	-9.85	2	4	0	54	262.284	5	↓ MOL2 SDF SMILES Flexibase

20359008

Analogs

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Popular Name: (2S)-2-[(3-fluorophenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(3-fluorophenyl)amino]-N…

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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)	2.69	4.5	-8.55	2	4	0	54	262.284	5	↓ MOL2 SDF SMILES Flexibase

20359011

Analogs

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Popular Name: (2S)-N-(2-furylmethyl)-2-[(3-methylsulfanylphenyl)amino]propanamide (2S)-N-(2-furylmethyl)-2-[(3-met…

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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)	2.96	5.47	-10.22	2	4	0	54	290.388	6	↓ MOL2 SDF SMILES Flexibase

20359012

Analogs

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Popular Name: (2R)-N-(2-furylmethyl)-2-[(3-methylsulfanylphenyl)amino]propanamide (2R)-N-(2-furylmethyl)-2-[(3-met…

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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)	2.96	5.46	-10.15	2	4	0	54	290.388	6	↓ MOL2 SDF SMILES Flexibase

20359015

Analogs

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Popular Name: (2R)-2-[(3-chloro-4-methyl-phenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(3-chloro-4-methyl-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)	3.61	5.54	-8	2	4	0	54	292.766	5	↓ MOL2 SDF SMILES Flexibase

20359016

Analogs

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Popular Name: (2S)-2-[(3-chloro-4-methyl-phenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(3-chloro-4-methyl-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)	3.61	5.57	-9.23	2	4	0	54	292.766	5	↓ MOL2 SDF SMILES Flexibase

20359020

Analogs

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Popular Name: (2R)-2-[(4-chlorophenyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[(4-chlorophenyl)amino]-N…

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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)	3.23	4.94	-8.49	2	4	0	54	278.739	5	↓ MOL2 SDF SMILES Flexibase

20359021

Analogs

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Popular Name: (2S)-2-[(4-chlorophenyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[(4-chlorophenyl)amino]-N…

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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)	3.23	4.95	-8.56	2	4	0	54	278.739	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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