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

36152187

Analogs

36152192

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-5,5',5'-trimethyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-5,5',5'-trimethyl-…

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)	5.17	13.17	-17.55	0	4	0	41	448.613	3	↓ MOL2 SDF SMILES Flexibase

36152192

Analogs

36152187

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-5,5',5'-trimethyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-5,5',5'-trimethyl-…

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)	5.17	13.16	-17.43	0	4	0	41	448.613	3	↓ MOL2 SDF SMILES Flexibase

36152382

Analogs

36152386

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-[(4-fluorophenyl)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)	4.10	11.31	-17.82	0	4	0	41	424.522	3	↓ MOL2 SDF SMILES Flexibase

36152386

Analogs

36152382

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-[(4-fluorophenyl)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)	4.10	11.29	-17.2	0	4	0	41	424.522	3	↓ MOL2 SDF SMILES Flexibase

36152477

Analogs

36152481
36164352
36164355

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-3'-(thiophene-2-ca…

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)	3.94	11.23	-18.46	0	4	0	41	406.532	3	↓ MOL2 SDF SMILES Flexibase

36152481

Analogs

36164352
36164355
36152477

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-3'-(thiophene-2-ca…

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)	3.94	11.21	-17.81	0	4	0	41	406.532	3	↓ MOL2 SDF SMILES Flexibase

36152578

Analogs

36152581

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(o-tolylmethyl)-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-(o-tolylmethyl)-3'-(thiop…

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)	4.34	12.26	-18.37	0	4	0	41	420.559	3	↓ MOL2 SDF SMILES Flexibase

36152581

Analogs

36152578

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(o-tolylmethyl)-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-(o-tolylmethyl)-3'-(thiop…

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)	4.34	12.19	-18.26	0	4	0	41	420.559	3	↓ MOL2 SDF SMILES Flexibase

36152662

Analogs

36152667

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-5-methyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]- (3R)-1-[(4-fluorophenyl)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)	4.53	11.96	-17.55	0	4	0	41	438.549	3	↓ MOL2 SDF SMILES Flexibase

36152667

Analogs

36152662

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-5-methyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]- (3S)-1-[(4-fluorophenyl)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)	4.53	11.95	-16.96	0	4	0	41	438.549	3	↓ MOL2 SDF SMILES Flexibase

36152838

Analogs

36152841

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-5',5'-dimethyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazoli (3R)-1-[(4-fluorophenyl)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)	4.91	12.58	-17.29	0	4	0	41	452.576	3	↓ MOL2 SDF SMILES Flexibase

36152841

Analogs

36152838

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-5',5'-dimethyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazoli (3S)-1-[(4-fluorophenyl)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)	4.91	12.54	-16.87	0	4	0	41	452.576	3	↓ MOL2 SDF SMILES Flexibase

36152941

Analogs

36152944

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-5',5'-dimethyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-5',5'-dimethyl-3'-…

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)	4.75	12.51	-17.81	0	4	0	41	434.586	3	↓ MOL2 SDF SMILES Flexibase

36152944

Analogs

36152941

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-5',5'-dimethyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-5',5'-dimethyl-3'-…

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)	4.75	12.47	-17.63	0	4	0	41	434.586	3	↓ MOL2 SDF SMILES Flexibase

36153054

Analogs

36153059

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5',5'-dimethyl-1-(o-tolylmethyl)-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-o (3R)-5',5'-dimethyl-1-(o-tolylme…

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)	5.15	13.54	-18.04	0	4	0	41	448.613	3	↓ MOL2 SDF SMILES Flexibase

36153059

Analogs

36153054

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5',5'-dimethyl-1-(o-tolylmethyl)-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-o (3S)-5',5'-dimethyl-1-(o-tolylme…

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)	5.15	13.45	-17.94	0	4	0	41	448.613	3	↓ MOL2 SDF SMILES Flexibase

36153163

Analogs

36153167

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-5,5',5'-trimethyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiaz (3R)-1-[(4-fluorophenyl)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)	5.33	13.24	-17.08	0	4	0	41	466.603	3	↓ MOL2 SDF SMILES Flexibase

36153167

Analogs

36153163

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-fluorophenyl)methyl]-5,5',5'-trimethyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiaz (3S)-1-[(4-fluorophenyl)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)	5.33	13.22	-16.64	0	4	0	41	466.603	3	↓ MOL2 SDF SMILES Flexibase

36155364

Analogs

36155367

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chlorophenyl)methyl]-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-[(2-chlorophenyl)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)	4.57	11.56	-17.94	0	4	0	41	440.977	3	↓ MOL2 SDF SMILES Flexibase

36155367

Analogs

36155364

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chlorophenyl)methyl]-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-[(2-chlorophenyl)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)	4.57	11.59	-19.01	0	4	0	41	440.977	3	↓ MOL2 SDF SMILES Flexibase

36155417

Analogs

36155420
36165613
36165615
35744901
35744903

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-5-chloro-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-5-chloro-3'-(thiop…

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)	4.59	11.76	-16.47	0	4	0	41	440.977	3	↓ MOL2 SDF SMILES Flexibase

36155420

Analogs

36165613
36165615
35744901
35744903
36155417

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-5-chloro-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-5-chloro-3'-(thiop…

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)	4.59	11.73	-16.09	0	4	0	41	440.977	3	↓ MOL2 SDF SMILES Flexibase

36155459

Analogs

36155461
36166019
36166021
36166398
36166402

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-5-methoxy-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-benzyl-5-methoxy-3'-(thio…

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)	3.97	10.53	-18.47	0	5	0	50	436.558	4	↓ MOL2 SDF SMILES Flexibase

36155461

Analogs

36166019
36166021
36166398
36166402
35744928

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-5-methoxy-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-benzyl-5-methoxy-3'-(thio…

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)	3.97	10.5	-18.17	0	5	0	50	436.558	4	↓ MOL2 SDF SMILES Flexibase

36155510

Analogs

36155513

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chlorophenyl)methyl]-5',5'-dimethyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazoli (3R)-1-[(2-chlorophenyl)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)	5.38	12.9	-17.24	0	4	0	41	469.031	3	↓ MOL2 SDF SMILES Flexibase

36155513

Analogs

36155510

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chlorophenyl)methyl]-5',5'-dimethyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazoli (3S)-1-[(2-chlorophenyl)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)	5.38	12.87	-17.85	0	4	0	41	469.031	3	↓ MOL2 SDF SMILES Flexibase

36155589

Analogs

36155593

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-benzyl-5-chloro-5',5'-dimethyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-o (3R)-1-benzyl-5-chloro-5',5'-dim…

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)	5.40	13.03	-15.98	0	4	0	41	469.031	3	↓ MOL2 SDF SMILES Flexibase

36155593

Analogs

36155589

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-5-chloro-5',5'-dimethyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-o (3S)-1-benzyl-5-chloro-5',5'-dim…

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)	5.40	12.98	-15.75	0	4	0	41	469.031	3	↓ MOL2 SDF SMILES Flexibase

36155665

Analogs

36155668

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-chloro-5',5'-dimethyl-1-(o-tolylmethyl)-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazoli (3R)-5-chloro-5',5'-dimethyl-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)	5.80	14.07	-15.84	0	4	0	41	483.058	3	↓ MOL2 SDF SMILES Flexibase

36155668

Analogs

36155665

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-chloro-5',5'-dimethyl-1-(o-tolylmethyl)-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazoli (3S)-5-chloro-5',5'-dimethyl-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)	5.80	13.97	-15.82	0	4	0	41	483.058	3	↓ MOL2 SDF SMILES Flexibase

36164264

Analogs

36164267
36166722
36166724

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-fluorophenyl)methyl]-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-[(2-fluorophenyl)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)	4.05	11.04	-17.82	0	4	0	41	424.522	3	↓ MOL2 SDF SMILES Flexibase

36164267

Analogs

36166722
36166724
36164264

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-fluorophenyl)methyl]-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-[(2-fluorophenyl)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)	4.05	11.02	-16.81	0	4	0	41	424.522	3	↓ MOL2 SDF SMILES Flexibase

36164352

Analogs

36164355
36152477
36152481

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(p-tolylmethyl)-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-(p-tolylmethyl)-3'-(thiop…

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)	4.39	11.91	-18.54	0	4	0	41	420.559	3	↓ MOL2 SDF SMILES Flexibase

36164355

Analogs

36152477
36152481
36164352

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(p-tolylmethyl)-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-(p-tolylmethyl)-3'-(thiop…

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)	4.39	11.89	-17.99	0	4	0	41	420.559	3	↓ MOL2 SDF SMILES Flexibase

36164433

Analogs

36164436
36166935
36166938

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(m-tolylmethyl)-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-(m-tolylmethyl)-3'-(thiop…

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)	4.36	11.9	-18.64	0	4	0	41	420.559	3	↓ MOL2 SDF SMILES Flexibase

36164436

Analogs

36166935
36166938
36164433

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(m-tolylmethyl)-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-(m-tolylmethyl)-3'-(thiop…

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)	4.36	11.88	-18.02	0	4	0	41	420.559	3	↓ MOL2 SDF SMILES Flexibase

36164529

Analogs

36164533
36166851
36166852

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(3-fluorophenyl)methyl]-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-[(3-fluorophenyl)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)	4.08	11.31	-20.24	0	4	0	41	424.522	3	↓ MOL2 SDF SMILES Flexibase

36164533

Analogs

36166851
36166852
36164529

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3-fluorophenyl)methyl]-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-[(3-fluorophenyl)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)	4.08	11.29	-19.61	0	4	0	41	424.522	3	↓ MOL2 SDF SMILES Flexibase

36164614

Analogs

36164618

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(3-methoxyphenyl)methyl]-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-1-[(3-methoxyphenyl)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)	3.97	10.53	-21.49	0	5	0	50	436.558	4	↓ MOL2 SDF SMILES Flexibase

36164618

Analogs

36164614

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3-methoxyphenyl)methyl]-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-1-[(3-methoxyphenyl)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)	3.97	10.51	-20.97	0	5	0	50	436.558	4	↓ MOL2 SDF SMILES Flexibase

36164695

Analogs

36164698
36167017
36167020
36167095
36167097

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-fluorophenyl)methyl]-5-methyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]- (3R)-1-[(2-fluorophenyl)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)	4.48	11.95	-21.22	0	4	0	41	438.549	3	↓ MOL2 SDF SMILES Flexibase

36164698

Analogs

36167017
36167020
36167095
36167097
36164695

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-fluorophenyl)methyl]-5-methyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]- (3S)-1-[(2-fluorophenyl)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)	4.48	11.93	-21.22	0	4	0	41	438.549	3	↓ MOL2 SDF SMILES Flexibase

36164862

Analogs

36164865
36167220
36167222

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-methyl-1-(m-tolylmethyl)-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3R)-5-methyl-1-(m-tolylmethyl)-…

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)	4.79	12.56	-18.4	0	4	0	41	434.586	3	↓ MOL2 SDF SMILES Flexibase

36164865

Analogs

36167220
36167222
36164862

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-methyl-1-(m-tolylmethyl)-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]-2-one (3S)-5-methyl-1-(m-tolylmethyl)-…

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)	4.79	12.53	-17.74	0	4	0	41	434.586	3	↓ MOL2 SDF SMILES Flexibase

36164952

Analogs

36164955
36167142
36167144

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(3-fluorophenyl)methyl]-5-methyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]- (3R)-1-[(3-fluorophenyl)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)	4.50	11.96	-19.91	0	4	0	41	438.549	3	↓ MOL2 SDF SMILES Flexibase

36164955

Analogs

36167142
36167144
36164952

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3-fluorophenyl)methyl]-5-methyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]- (3S)-1-[(3-fluorophenyl)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)	4.50	11.95	-19.37	0	4	0	41	438.549	3	↓ MOL2 SDF SMILES Flexibase

36165039

Analogs

36165042

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-chlorophenyl)methyl]-5-methyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]- (3R)-1-[(2-chlorophenyl)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)	4.99	12.29	-17.49	0	4	0	41	455.004	3	↓ MOL2 SDF SMILES Flexibase

36165042

Analogs

36165039

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-chlorophenyl)methyl]-5-methyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine]- (3S)-1-[(2-chlorophenyl)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)	4.99	12.28	-18.07	0	4	0	41	455.004	3	↓ MOL2 SDF SMILES Flexibase

36165101

Analogs

36165103

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(3-methoxyphenyl)methyl]-5-methyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine] (3R)-1-[(3-methoxyphenyl)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)	4.39	11.19	-21.25	0	5	0	50	450.585	4	↓ MOL2 SDF SMILES Flexibase

36165103

Analogs

36165101

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3-methoxyphenyl)methyl]-5-methyl-3'-(thiophene-2-carbonyl)spiro[indoline-3,2'-thiazolidine] (3S)-1-[(3-methoxyphenyl)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)	4.39	11.19	-20.66	0	5	0	50	450.585	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 73534
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 = 73534 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=73534&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": "73534"        

    });
</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