ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

52907487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(p-tolyl)ethyl]amino]acetyl]pyrimidine-2,4-dione 6-amino-1-ethyl-5-[2-[methyl-[(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)	1.26	7.69	-33.52	4	7	1	102	345.423	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.26	5.76	-9.78	3	7	0	101	344.415	6	↓ MOL2 SDF SMILES Flexibase

52907489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1-ethyl-5-[2-[methyl-[(1R)-1-(p-tolyl)ethyl]amino]acetyl]pyrimidine-2,4-dione 6-amino-1-ethyl-5-[2-[methyl-[(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)	1.26	7.69	-33.56	4	7	1	102	345.423	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.26	5.74	-9.79	3	7	0	101	344.415	6	↓ MOL2 SDF SMILES Flexibase

16585313

Analogs

16585314

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(2R)-2-[(3-fluorophenyl)methyl-methyl-amino]propanoyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-amino-5-[(2R)-2-[(3-fluorophen…

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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)	0.41	5.9	-11.09	2	7	0	90	348.378	5	↓ MOL2 SDF SMILES Flexibase

16585314

Analogs

16585313

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(2S)-2-[(3-fluorophenyl)methyl-methyl-amino]propanoyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-amino-5-[(2S)-2-[(3-fluorophen…

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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)	0.41	5.87	-10.94	2	7	0	90	348.378	5	↓ MOL2 SDF SMILES Flexibase

16585868

Analogs

16585869

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1,3-dimethyl-5-[(2R)-2-(methyl-(o-tolylmethyl)amino)propanoyl]pyrimidine-2,4-dione 6-amino-1,3-dimethyl-5-[(2R)-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)	0.67	6.41	-10.23	2	7	0	90	344.415	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.67	8.68	-33.04	3	7	1	92	345.423	5	↓ MOL2 SDF SMILES Flexibase

16585869

Analogs

16585868

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1,3-dimethyl-5-[(2S)-2-(methyl-(o-tolylmethyl)amino)propanoyl]pyrimidine-2,4-dione 6-amino-1,3-dimethyl-5-[(2S)-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)	0.67	6.77	-10.18	2	7	0	90	344.415	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.67	8.71	-32.73	3	7	1	92	345.423	5	↓ MOL2 SDF SMILES Flexibase

16587331

Analogs

16587332
16554514
16554516

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(2R)-2-[[4-(difluoromethoxy)phenyl]methyl-methyl-amino]propanoyl]-1,3-dimethyl-pyrimidine 6-amino-5-[(2R)-2-[[4-(difluorom…

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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)	0.89	5.41	-13.34	2	8	0	100	396.394	7	↓ MOL2 SDF SMILES Flexibase

16587332

Analogs

16554514
16554516
16587331

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methyl-amino]propanoyl]-1,3-dimethyl-pyrimidine 6-amino-5-[(2S)-2-[[4-(difluorom…

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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)	0.89	5.39	-13.13	2	8	0	100	396.394	7	↓ MOL2 SDF SMILES Flexibase

16587575

Analogs

16587576
16444725
16564287
16564289
16444723

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1,3-dimethyl-5-[(2R)-2-(methyl-(p-tolylmethyl)amino)propanoyl]pyrimidine-2,4-dione 6-amino-1,3-dimethyl-5-[(2R)-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)	0.72	8.76	-33.52	3	7	1	92	345.423	5	↓ MOL2 SDF SMILES Flexibase

16587576

Analogs

16444725
16564287
16564289
16587575
16444723

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1,3-dimethyl-5-[(2S)-2-(methyl-(p-tolylmethyl)amino)propanoyl]pyrimidine-2,4-dione 6-amino-1,3-dimethyl-5-[(2S)-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)	0.72	8.75	-33.56	3	7	1	92	345.423	5	↓ MOL2 SDF SMILES Flexibase

16587639

Analogs

16590593
16632243
16444864
16483208
16564403

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1,3-dimethyl-5-[2-(methyl-(p-tolylmethyl)amino)acetyl]pyrimidine-2,4-dione 6-amino-1,3-dimethyl-5-[2-(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)	0.39	8.27	-35.67	3	7	1	92	331.396	5	↓ MOL2 SDF SMILES Flexibase

16588099

Analogs

16588100

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(2S)-2-[(4-isopropylphenyl)methyl-methyl-amino]propanoyl]-1,3-dimethyl-pyrimidine-2,4-dio 6-amino-5-[(2S)-2-[(4-isopropylp…

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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)	1.79	9.98	-32.93	3	7	1	92	373.477	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	7.51	-9.91	2	7	0	90	372.469	6	↓ MOL2 SDF SMILES Flexibase

16588100

Analogs

16588099

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(2R)-2-[(4-isopropylphenyl)methyl-methyl-amino]propanoyl]-1,3-dimethyl-pyrimidine-2,4-dio 6-amino-5-[(2R)-2-[(4-isopropylp…

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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)	1.79	10.01	-33.49	3	7	1	92	373.477	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	7.76	-10.27	2	7	0	90	372.469	6	↓ MOL2 SDF SMILES Flexibase

16590521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(2R)-2-[(2-chlorophenyl)methyl-methyl-amino]propanoyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-amino-5-[(2R)-2-[(2-chlorophen…

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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)	0.90	6.24	-10.87	2	7	0	90	364.833	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.90	8.56	-31.24	3	7	1	92	365.841	5	↓ MOL2 SDF SMILES Flexibase

16590522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(2S)-2-[(2-chlorophenyl)methyl-methyl-amino]propanoyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-amino-5-[(2S)-2-[(2-chlorophen…

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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)	0.90	6.21	-10.92	2	7	0	90	364.833	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.90	8.52	-31.5	3	7	1	92	365.841	5	↓ MOL2 SDF SMILES Flexibase

16590593

Analogs

16621293
16444864
14016463
16587639

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[2-[(2-chlorophenyl)methyl-methyl-amino]acetyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-amino-5-[2-[(2-chlorophenyl)me…

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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)	0.57	5.82	-11.34	2	7	0	90	350.806	5	↓ MOL2 SDF SMILES Flexibase

16590759

Analogs

16558511
16558513

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]propanoyl]-1,3-dimethyl-pyrimidine-2,4-d 6-amino-5-[(2S)-2-[(3,4-dimethox…

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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)	-0.08	7.25	-39.21	3	9	1	110	391.448	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.08	4.78	-13.56	2	9	0	109	390.44	7	↓ MOL2 SDF SMILES Flexibase

16590760

Analogs

16558511
16558513

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(2R)-2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]propanoyl]-1,3-dimethyl-pyrimidine-2,4-d 6-amino-5-[(2R)-2-[(3,4-dimethox…

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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)	-0.08	7.27	-39.28	3	9	1	110	391.448	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.08	5.02	-13.79	2	9	0	109	390.44	7	↓ MOL2 SDF SMILES Flexibase

16590923

Analogs

16590924

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methyl-amino]propanoyl]-1,3-dimethyl-pyrimidine-2,4-d 6-amino-5-[(2S)-2-[(2,4-dimethox…

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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)	0.31	6.8	-33.04	3	9	1	110	391.448	7	↓ MOL2 SDF SMILES Flexibase

16590924

Analogs

16554514
16554516
16590923

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(2R)-2-[(2,4-dimethoxyphenyl)methyl-methyl-amino]propanoyl]-1,3-dimethyl-pyrimidine-2,4-d 6-amino-5-[(2R)-2-[(2,4-dimethox…

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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)	0.31	6.94	-33.65	3	9	1	110	391.448	7	↓ MOL2 SDF SMILES Flexibase

16592369

Analogs

16592423
7686708
6790705

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-[(4-allyloxyphenyl)methyl-methyl-amino]acetyl]-6-amino-1-isobutyl-3-methyl-pyrimidine-2,4-dione 5-[2-[(4-allyloxyphenyl)methyl-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)	1.77	10.58	-38.3	3	8	1	101	415.514	10	↓ MOL2 SDF SMILES Flexibase

16592423

Analogs

16592369

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-[(4-allyloxyphenyl)methyl-methyl-amino]acetyl]-6-amino-1-propyl-pyrimidine-2,4-dione 5-[2-[(4-allyloxyphenyl)methyl-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)	1.46	7.97	-38.77	4	8	1	112	387.46	10	↓ MOL2 SDF SMILES Flexibase

69567573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1,3-dimethyl-5-[(2S)-2-[[(1S)-1-phenylethyl]amino]propanoyl]pyrimidine-2,4-dione 6-amino-1,3-dimethyl-5-[(2S)-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)	0.59	6.79	-34.79	4	7	1	104	331.396	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.59	5.9	-9.67	3	7	0	99	330.388	5	↓ MOL2 SDF SMILES Flexibase

69567577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1,3-dimethyl-5-[(2S)-2-[[(1R)-1-phenylethyl]amino]propanoyl]pyrimidine-2,4-dione 6-amino-1,3-dimethyl-5-[(2S)-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)	0.59	6.79	-36.11	4	7	1	104	331.396	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.59	6.01	-10.53	3	7	0	99	330.388	5	↓ MOL2 SDF SMILES Flexibase

69567580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1,3-dimethyl-5-[(2R)-2-[[(1S)-1-phenylethyl]amino]propanoyl]pyrimidine-2,4-dione 6-amino-1,3-dimethyl-5-[(2R)-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)	0.59	6.8	-36.07	4	7	1	104	331.396	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.59	5.73	-10.28	3	7	0	99	330.388	5	↓ MOL2 SDF SMILES Flexibase

69567582

Analogs

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Popular Name: 6-amino-1,3-dimethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propanoyl]pyrimidine-2,4-dione 6-amino-1,3-dimethyl-5-[(2R)-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)	0.59	6.81	-34.62	4	7	1	104	331.396	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.59	5.86	-10.03	3	7	0	99	330.388	5	↓ MOL2 SDF SMILES Flexibase

67975219

Analogs

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Popular Name: 6-amino-5-[2-[[(1R)-1-(2-fluorophenyl)ethyl]-methyl-amino]acetyl]-1-isobutyl-pyrimidine-2,4-dione 6-amino-5-[2-[[(1R)-1-(2-fluorop…

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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)	1.67	6.55	-10.97	3	7	0	101	376.432	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.67	8.18	-34.91	4	7	1	102	377.44	7	↓ MOL2 SDF SMILES Flexibase

67975869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methyl-amino]acetyl]-1-isobutyl-pyrimidine-2,4-dione 6-amino-5-[2-[[(1R)-1-(2-chlorop…

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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)	2.19	6.79	-10.23	3	7	0	101	392.887	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.19	8.39	-34.16	4	7	1	102	393.895	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 24871
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 24871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=24871&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "24871"        

    });
</script>

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