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

70107494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-methyl-thiazolidine-4-carboxylic (2R,4R)-3-[[(1S)-2-cyclopropyl-1…

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)	0.53	7.68	-55.03	1	5	-1	72	271.362	4	↓ MOL2 SDF SMILES Flexibase

70107495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-methyl-thiazolidine-4-carboxylic (2S,4R)-3-[[(1S)-2-cyclopropyl-1…

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)	0.53	7.2	-39.03	1	5	-1	72	271.362	4	↓ MOL2 SDF SMILES Flexibase

70107496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-methyl-thiazolidine-4-carboxylic (2R,4S)-3-[[(1S)-2-cyclopropyl-1…

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)	0.53	7.06	-41.23	1	5	-1	72	271.362	4	↓ MOL2 SDF SMILES Flexibase

70107497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-methyl-thiazolidine-4-carboxylic (2S,4S)-3-[[(1S)-2-cyclopropyl-1…

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)	0.53	7.1	-42.89	1	5	-1	72	271.362	4	↓ MOL2 SDF SMILES Flexibase

70107500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-isopropyl-thiazolidine-4-carboxylic (2R,4R)-3-[[(1S)-2-cyclopropyl-1…

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)	1.27	8.13	-41.15	1	5	-1	72	299.416	5	↓ MOL2 SDF SMILES Flexibase

70107501

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-isopropyl-thiazolidine-4-carboxylic (2S,4R)-3-[[(1S)-2-cyclopropyl-1…

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)	1.27	8.26	-40.38	1	5	-1	72	299.416	5	↓ MOL2 SDF SMILES Flexibase

70107502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-isopropyl-thiazolidine-4-carboxylic (2R,4S)-3-[[(1S)-2-cyclopropyl-1…

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)	1.27	8.22	-39.03	1	5	-1	72	299.416	5	↓ MOL2 SDF SMILES Flexibase

70107503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-isopropyl-thiazolidine-4-carboxylic (2S,4S)-3-[[(1S)-2-cyclopropyl-1…

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)	1.27	9.32	-59.24	1	5	-1	72	299.416	5	↓ MOL2 SDF SMILES Flexibase

70107510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]thiazolidine-4-carboxylic (4S)-3-[[(1S)-2-cyclopropyl-1-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)	0.17	6.21	-56.57	1	5	-1	72	257.335	4	↓ MOL2 SDF SMILES Flexibase

70107511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-[[(1R)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]thiazolidine-4-carboxylic (4S)-3-[[(1R)-2-cyclopropyl-1-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)	0.17	6.21	-55.44	1	5	-1	72	257.335	4	↓ MOL2 SDF SMILES Flexibase

70107512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]thiazolidine-4-carboxylic (4R)-3-[[(1S)-2-cyclopropyl-1-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)	0.17	6.71	-54.55	1	5	-1	72	257.335	4	↓ MOL2 SDF SMILES Flexibase

70107513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[[(1R)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]thiazolidine-4-carboxylic (4R)-3-[[(1R)-2-cyclopropyl-1-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)	0.17	6.82	-55.53	1	5	-1	72	257.335	4	↓ MOL2 SDF SMILES Flexibase

70107824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-ethyl-thiazolidine-4-carboxylic (2R,4R)-3-[[(1S)-2-cyclopropyl-1…

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)	1.03	8.45	-58	1	5	-1	72	285.389	5	↓ MOL2 SDF SMILES Flexibase

70107825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-ethyl-thiazolidine-4-carboxylic (2S,4R)-3-[[(1S)-2-cyclopropyl-1…

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)	1.03	7.76	-40.15	1	5	-1	72	285.389	5	↓ MOL2 SDF SMILES Flexibase

70107826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-ethyl-thiazolidine-4-carboxylic (2R,4S)-3-[[(1S)-2-cyclopropyl-1…

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)	1.03	8.57	-59.16	1	5	-1	72	285.389	5	↓ MOL2 SDF SMILES Flexibase

70107827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-ethyl-thiazolidine-4-carboxylic (2S,4S)-3-[[(1S)-2-cyclopropyl-1…

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)	1.03	7.72	-42.67	1	5	-1	72	285.389	5	↓ MOL2 SDF SMILES Flexibase

70107828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-propyl-thiazolidine-4-carboxylic (2R,4R)-3-[[(1S)-2-cyclopropyl-1…

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)	1.59	9.24	-57.9	1	5	-1	72	299.416	6	↓ MOL2 SDF SMILES Flexibase

70107829

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-propyl-thiazolidine-4-carboxylic (2S,4R)-3-[[(1S)-2-cyclopropyl-1…

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)	1.59	8.55	-40.2	1	5	-1	72	299.416	6	↓ MOL2 SDF SMILES Flexibase

70107830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-propyl-thiazolidine-4-carboxylic (2R,4S)-3-[[(1S)-2-cyclopropyl-1…

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)	1.59	9.35	-58.88	1	5	-1	72	299.416	6	↓ MOL2 SDF SMILES Flexibase

70107831

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]carbamoyl]-2-propyl-thiazolidine-4-carboxylic (2S,4S)-3-[[(1S)-2-cyclopropyl-1…

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)	1.59	8.5	-42.84	1	5	-1	72	299.416	6	↓ MOL2 SDF SMILES Flexibase

70107926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-3-[[(1S)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-methyl-thiazolidine-4-carboxylic (2S,4S)-3-[[(1S)-1-(cyclopropylm…

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)	1.06	7.46	-56.47	1	5	-1	72	285.389	5	↓ MOL2 SDF SMILES Flexibase

70107927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-3-[[(1R)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-methyl-thiazolidine-4-carboxylic (2S,4S)-3-[[(1R)-1-(cyclopropylm…

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)	1.06	7.59	-55.15	1	5	-1	72	285.389	5	↓ MOL2 SDF SMILES Flexibase

70107928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-3-[[(1S)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-methyl-thiazolidine-4-carboxylic (2R,4S)-3-[[(1S)-1-(cyclopropylm…

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)	1.06	7.42	-40.7	1	5	-1	72	285.389	5	↓ MOL2 SDF SMILES Flexibase

70107929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-3-[[(1R)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-methyl-thiazolidine-4-carboxylic (2R,4S)-3-[[(1R)-1-(cyclopropylm…

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)	1.06	7.44	-42.72	1	5	-1	72	285.389	5	↓ MOL2 SDF SMILES Flexibase

70107932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-3-[[(1S)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-isopropyl-thiazolidine-4-carboxylic (2R,4R)-3-[[(1S)-1-(cyclopropylm…

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)	1.81	8.51	-40.54	1	5	-1	72	313.443	6	↓ MOL2 SDF SMILES Flexibase

70107933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-3-[[(1R)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-isopropyl-thiazolidine-4-carboxylic (2R,4R)-3-[[(1R)-1-(cyclopropylm…

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)	1.81	8.55	-40.04	1	5	-1	72	313.443	6	↓ MOL2 SDF SMILES Flexibase

70107934

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-3-[[(1S)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-isopropyl-thiazolidine-4-carboxylic (2R,4S)-3-[[(1S)-1-(cyclopropylm…

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)	1.81	8.63	-38	1	5	-1	72	313.443	6	↓ MOL2 SDF SMILES Flexibase

70107935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-3-[[(1R)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-isopropyl-thiazolidine-4-carboxylic (2R,4S)-3-[[(1R)-1-(cyclopropylm…

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)	1.81	9.31	-38.36	1	5	-1	72	313.443	6	↓ MOL2 SDF SMILES Flexibase

70107942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-[[(1S)-1-(cyclopropylmethyl)propyl]carbamoyl]thiazolidine-4-carboxylic (4S)-3-[[(1S)-1-(cyclopropylmeth…

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)	0.70	6.59	-56.07	1	5	-1	72	271.362	5	↓ MOL2 SDF SMILES Flexibase

70107943

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-[[(1R)-1-(cyclopropylmethyl)propyl]carbamoyl]thiazolidine-4-carboxylic (4S)-3-[[(1R)-1-(cyclopropylmeth…

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)	0.70	6.72	-54.82	1	5	-1	72	271.362	5	↓ MOL2 SDF SMILES Flexibase

70107944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[[(1S)-1-(cyclopropylmethyl)propyl]carbamoyl]thiazolidine-4-carboxylic (4R)-3-[[(1S)-1-(cyclopropylmeth…

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)	0.70	7.06	-53.23	1	5	-1	72	271.362	5	↓ MOL2 SDF SMILES Flexibase

70107945

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[[(1R)-1-(cyclopropylmethyl)propyl]carbamoyl]thiazolidine-4-carboxylic (4R)-3-[[(1R)-1-(cyclopropylmeth…

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)	0.70	7.14	-54.97	1	5	-1	72	271.362	5	↓ MOL2 SDF SMILES Flexibase

70108216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-3-[[(1S)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-ethyl-thiazolidine-4-carboxylic (2R,4R)-3-[[(1S)-1-(cyclopropylm…

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)	1.57	8.74	-56.4	1	5	-1	72	299.416	6	↓ MOL2 SDF SMILES Flexibase

70108217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-3-[[(1S)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-ethyl-thiazolidine-4-carboxylic (2S,4R)-3-[[(1S)-1-(cyclopropylm…

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)	1.57	8.16	-39.69	1	5	-1	72	299.416	6	↓ MOL2 SDF SMILES Flexibase

70108218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-3-[[(1S)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-ethyl-thiazolidine-4-carboxylic (2R,4S)-3-[[(1S)-1-(cyclopropylm…

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)	1.57	8.82	-58.91	1	5	-1	72	299.416	6	↓ MOL2 SDF SMILES Flexibase

70108219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-3-[[(1S)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-ethyl-thiazolidine-4-carboxylic (2S,4S)-3-[[(1S)-1-(cyclopropylm…

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)	1.57	8.1	-42.17	1	5	-1	72	299.416	6	↓ MOL2 SDF SMILES Flexibase

70108220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-3-[[(1S)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-propyl-thiazolidine-4-carboxylic (2R,4R)-3-[[(1S)-1-(cyclopropylm…

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)	2.13	9.52	-56.29	1	5	-1	72	313.443	7	↓ MOL2 SDF SMILES Flexibase

70108221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-3-[[(1S)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-propyl-thiazolidine-4-carboxylic (2S,4R)-3-[[(1S)-1-(cyclopropylm…

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)	2.13	8.94	-39.68	1	5	-1	72	313.443	7	↓ MOL2 SDF SMILES Flexibase

70108222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-3-[[(1S)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-propyl-thiazolidine-4-carboxylic (2R,4S)-3-[[(1S)-1-(cyclopropylm…

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)	2.13	9.59	-58.69	1	5	-1	72	313.443	7	↓ MOL2 SDF SMILES Flexibase

70108223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-3-[[(1S)-1-(cyclopropylmethyl)propyl]carbamoyl]-2-propyl-thiazolidine-4-carboxylic (2S,4S)-3-[[(1S)-1-(cyclopropylm…

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)	2.13	8.88	-42.3	1	5	-1	72	313.443	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 523090
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 = 523090 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=523090&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": "523090"        

    });
</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