ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

14010634

Analogs

1154286

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-methoxy-4-sec-butoxy-phenyl)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(3-methoxy-4-sec-butoxy-…

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)	2.97	9.21	-11.79	1	7	0	90	408.454	6	↓ MOL2 SDF SMILES Flexibase

14010668

Analogs

6325307

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-diethylamino-2-methoxy-phenyl)methylene]-1-(4-ethylphenyl)hexahydropyrimidine-2,4,6-trion (5Z)-5-[(4-diethylamino-2-methox…

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)	3.39	10.1	-10.45	1	7	0	84	421.497	7	↓ MOL2 SDF SMILES Flexibase

14010675

Analogs

16225961

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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)	2.72	8.78	-19.4	1	9	0	117	503.305	8	↓ MOL2 SDF SMILES Flexibase

14010681

Analogs

1211705

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(4-bromo-3-methyl-phenyl)-5-[(3,4,5-trimethoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trio (5Z)-1-(4-bromo-3-methyl-phenyl)…

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)	2.66	7.33	-12.68	1	8	0	100	475.295	5	↓ MOL2 SDF SMILES Flexibase

14010685

Analogs

1198929

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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)	3.58	10.95	-18.36	1	8	0	107	501.333	8	↓ MOL2 SDF SMILES Flexibase

14010688

Analogs

1195303

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-bromo-4-dimethylamino-phenyl)methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione (5Z)-5-[(3-bromo-4-dimethylamino…

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)	2.47	7.44	-10.8	1	6	0	75	414.259	3	↓ MOL2 SDF SMILES Flexibase

14010694

Analogs

2972872

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-allyloxy-3-chloro-5-methoxy-phenyl)methylene]-1-(3-bromophenyl)hexahydropyrimidine-2,4,6- (5Z)-5-[(4-allyloxy-3-chloro-5-m…

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)	3.73	9.02	-12.31	1	7	0	90	491.725	6	↓ MOL2 SDF SMILES Flexibase

14010697

Analogs

2973052

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-allyloxy-3-methoxy-phenyl)methylene]-1-(3-bromophenyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[(4-allyloxy-3-methoxy-ph…

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)	2.92	8.35	-12.76	1	7	0	90	457.28	6	↓ MOL2 SDF SMILES Flexibase

14010718

Analogs

5713248
5928850

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(2,4-diethoxyphenyl)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(2,4-diethoxyphenyl)meth…

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)	2.88	8.19	-10.29	1	7	0	90	394.427	6	↓ MOL2 SDF SMILES Flexibase

14010721

Analogs

1215069

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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)	3.12	10.19	-15.22	1	8	0	107	487.306	7	↓ MOL2 SDF SMILES Flexibase

14010729

Analogs

1214455

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-(4-chlorophenyl)-5-[(2,4-diethoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-(4-chlorophenyl)-5-[(2,4-…

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)	3.11	8.03	-8.99	1	7	0	90	414.845	6	↓ MOL2 SDF SMILES Flexibase

14010732

Analogs

16225921
1215131

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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)	3.35	10.03	-13.77	1	8	0	107	507.724	7	↓ MOL2 SDF SMILES Flexibase

14010736

Analogs

1213549

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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)	3.23	7.53	-51.81	0	9	-1	120	451.455	8	↓ MOL2 SDF SMILES Flexibase

14010739

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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)	4.17	9.58	-52.27	0	9	-1	120	491.52	10	↓ MOL2 SDF SMILES Flexibase

14010742

Analogs

1203896

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-(4-bromophenyl)-5-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-t (5E)-1-(4-bromophenyl)-5-[(3-chl…

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)	2.62	5.36	-11.58	2	7	0	101	451.66	3	↓ MOL2 SDF SMILES Flexibase

14010750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-(4-bromophenyl)-5-[[3-(trifluoromethyl)phenyl]methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-(4-bromophenyl)-5-[[3-(tr…

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)	3.32	8.64	-8.68	1	5	0	72	439.187	3	↓ MOL2 SDF SMILES Flexibase

14010755

Analogs

1180498

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-allyl-5-ethoxy-4-methoxy-phenyl)methylene]-1-(4-bromophenyl)hexahydropyrimidine-2,4,6-tri (5E)-5-[(3-allyl-5-ethoxy-4-meth…

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)	3.42	9.84	-10.48	1	7	0	90	485.334	7	↓ MOL2 SDF SMILES Flexibase

14010761

Analogs

1199247

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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)	2.83	9.59	-15.28	1	8	0	107	491.269	7	↓ MOL2 SDF SMILES Flexibase

14010764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-ethylphenyl)methylene]-1-(4-fluorophenyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(4-ethylphenyl)methylene…

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)	2.71	8.49	-8.29	1	5	0	72	338.338	3	↓ MOL2 SDF SMILES Flexibase

14010788

Analogs

1189712

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(5-bromo-2-methoxy-phenyl)methylene]-1-(4-chlorophenyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[(5-bromo-2-methoxy-pheny…

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)	3.11	7.51	-8.68	1	6	0	81	435.661	3	↓ MOL2 SDF SMILES Flexibase

14010790

Analogs

4209186

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(4-chlorophenyl)-5-(m-tolylmethylene)hexahydropyrimidine-2,4,6-trione (5Z)-1-(4-chlorophenyl)-5-(m-tol…

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)	2.74	8.18	-7.76	1	5	0	72	340.766	2	↓ MOL2 SDF SMILES Flexibase

14010793

Analogs

1214785

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(4-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(4-chlorophenyl)-5-[(4-me…

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)	2.75	8.48	-8.84	1	5	0	72	372.833	3	↓ MOL2 SDF SMILES Flexibase

14010796

Analogs

1213526

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-allyl-4-hydroxy-5-methoxy-phenyl)methylene]-1-(4-chlorophenyl)hexahydropyrimidine-2,4,6-t (5Z)-5-[(3-allyl-4-hydroxy-5-met…

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)	2.63	6.71	-10.72	2	7	0	101	412.829	5	↓ MOL2 SDF SMILES Flexibase

14010799

Analogs

1228837

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(4-bromophenyl)-5-[(2-methoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(4-bromophenyl)-5-[(2-met…

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)	2.45	7.01	-8.42	1	6	0	81	401.216	3	↓ MOL2 SDF SMILES Flexibase

14010802

Analogs

1203224

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(4-bromophenyl)-5-[(4-fluorophenyl)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(4-bromophenyl)-5-[(4-flu…

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)	2.61	7.71	-9.12	1	5	0	72	389.18	2	↓ MOL2 SDF SMILES Flexibase

14010805

Analogs

1225661

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(4-bromophenyl)-5-[(4-hyd…

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)	1.78	4.79	-11.65	2	7	0	101	417.215	3	↓ MOL2 SDF SMILES Flexibase

14010808

Analogs

1186760

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(4-bromophenyl)-5-(m-tolylmethylene)hexahydropyrimidine-2,4,6-trione (5Z)-1-(4-bromophenyl)-5-(m-toly…

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)	2.87	8.29	-7.73	1	5	0	72	385.217	2	↓ MOL2 SDF SMILES Flexibase

14010811

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(4-bromophenyl)-5-[(4-methylsulfanylphenyl)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(4-bromophenyl)-5-[(4-met…

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)	2.88	8.59	-8.81	1	5	0	72	417.284	3	↓ MOL2 SDF SMILES Flexibase

14010845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(2,3-dichlorophenyl)-5-[(4-dimethylaminophenyl)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(2,3-dichlorophenyl)-5-[(…

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)	3.21	8.75	-11.56	1	6	0	75	404.253	3	↓ MOL2 SDF SMILES Flexibase

14010854

Analogs

4525938

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-tert-butylphenyl)methylene]-1-(3-fluorophenyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[(4-tert-butylphenyl)meth…

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)	3.69	9.38	-9.27	1	5	0	72	366.392	3	↓ MOL2 SDF SMILES Flexibase

14010991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-5-methoxy-phenoxy]ac 2-[3-[(E)-[1-(4-chlorophenyl)-2,…

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)	1.09	4.24	-18.58	3	9	0	134	429.816	6	↓ MOL2 SDF SMILES Flexibase

14010995

Analogs

1206187

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-iodo-4-methoxy-phenyl)methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione (5Z)-5-[(3-iodo-4-methoxy-phenyl…

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)	2.70	7.46	-11.85	1	6	0	81	448.216	3	↓ MOL2 SDF SMILES Flexibase

14010997

Analogs

1208285

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-methoxy-2-methyl-phenyl)methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione (5E)-5-[(4-methoxy-2-methyl-phen…

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)	2.07	6.88	-10.16	1	6	0	81	336.347	3	↓ MOL2 SDF SMILES Flexibase

14011004

Analogs

1160728

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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)	3.15	9.99	-14.71	1	8	0	107	442.855	7	↓ MOL2 SDF SMILES Flexibase

14011061

Analogs

6325307

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-diethylamino-2-methoxy-phenyl)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(4-diethylamino-2-methox…

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)	2.92	9.33	-10.99	1	7	0	84	407.47	6	↓ MOL2 SDF SMILES Flexibase

14011063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-(3,5-dimethylphenyl)-5-(m-tolylmethylene)hexahydropyrimidine-2,4,6-trione (5E)-1-(3,5-dimethylphenyl)-5-(m…

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)	3.31	8.98	-9.11	1	5	0	72	334.375	2	↓ MOL2 SDF SMILES Flexibase

14011066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(4-ethylphenyl)methylene]-1-(m-tolyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(4-ethylphenyl)methylene…

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)	3.19	9.08	-9.05	1	5	0	72	334.375	3	↓ MOL2 SDF SMILES Flexibase

14011072

Analogs

1207700

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-bromo-4-methoxy-phenyl)methylene]-1-(3,4-dimethylphenyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[(3-bromo-4-methoxy-pheny…

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)	3.47	8.19	-12.6	1	6	0	81	429.27	3	↓ MOL2 SDF SMILES Flexibase

14011077

Analogs

2982320

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-allyl-5-ethoxy-4-hydroxy-phenyl)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[(3-allyl-5-ethoxy-4-hydr…

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)	2.78	7.79	-11.43	2	7	0	101	406.438	6	↓ MOL2 SDF SMILES Flexibase

14011079

Analogs

5713248
5745857

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2-ethoxyphenyl)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[(2-ethoxyphenyl)methylen…

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)	2.47	7.99	-9.51	1	6	0	81	350.374	4	↓ MOL2 SDF SMILES Flexibase

14011082

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-ethoxy-4-methoxy-phenyl)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[(3-ethoxy-4-methoxy-phen…

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)	2.11	7.86	-12.31	1	7	0	90	380.4	5	↓ MOL2 SDF SMILES Flexibase

14011085

Analogs

1207428

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(4-chlorophenyl)-5-[(4-ethoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(4-chlorophenyl)-5-[(4-et…

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)	2.75	7.79	-9.18	1	6	0	81	370.792	4	↓ MOL2 SDF SMILES Flexibase

14011088

Analogs

1192605

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(4-chlorophenyl)-5-[(3-methoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(4-chlorophenyl)-5-[(3-me…

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)	2.35	6.81	-10.18	1	6	0	81	356.765	3	↓ MOL2 SDF SMILES Flexibase

14011091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-allyloxy-3-ethoxy-phenyl)methylene]-1-(4-chlorophenyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[(4-allyloxy-3-ethoxy-phe…

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)	2.98	9.2	-11.27	1	7	0	90	426.856	7	↓ MOL2 SDF SMILES Flexibase

14011094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[(3-ethoxy-4-prop-2-ynoxy…

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)	2.27	9.32	-13.91	1	7	0	90	404.422	6	↓ MOL2 SDF SMILES Flexibase

14011097

Analogs

1215099

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(5-chloro-2-methoxy-phenyl)methylene]-1-(4-chlorophenyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[(5-chloro-2-methoxy-phen…

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)	2.98	7.4	-8.73	1	6	0	81	391.21	3	↓ MOL2 SDF SMILES Flexibase

14011100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-allyloxy-3-chloro-5-methoxy-phenyl)methylene]-1-(4-chlorophenyl)hexahydropyrimidine-2,4,6 (5Z)-5-[(4-allyloxy-3-chloro-5-m…

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)	3.41	8.95	-12.25	1	7	0	90	447.274	6	↓ MOL2 SDF SMILES Flexibase

14011103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-1-(4-chlorophenyl)-5-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trion (5Z)-1-(4-chlorophenyl)-5-[(3-et…

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)	2.50	9.16	-13.07	1	7	0	90	424.84	6	↓ MOL2 SDF SMILES Flexibase

14011106

Analogs

1192790
1214866

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(2,3-dimethoxyphenyl)methylene]-1-(3,5-dimethylphenyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[(2,3-dimethoxyphenyl)met…

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)	2.70	7.73	-10.6	1	7	0	90	380.4	4	↓ MOL2 SDF SMILES Flexibase

14011109

Analogs

15723172
1214671

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-allyl-4-hydroxy-5-methoxy-phenyl)methylene]-1-(3,5-dimethylphenyl)hexahydropyrimidine-2,4 (5Z)-5-[(3-allyl-4-hydroxy-5-met…

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)	3.20	7.52	-11.85	2	7	0	101	406.438	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 230026
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 = 230026 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=230026&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": "230026"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations