ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

6729030

Analogs

35448986
35449013

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-1-propanoyl-indoline-5-sulfonamide N-[(2-chlorophenyl)methyl]-1-pro…

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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)	2.63	6.85	-16.97	1	5	0	66	378.881	5	↓ MOL2 SDF SMILES Flexibase

6729695

Analogs

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Popular Name: 1-acetyl-N-benzyl-N,2-dimethyl-indoline-5-sulfonamide 1-acetyl-N-benzyl-N,2-dimethyl-i…

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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)	2.41	8.02	-16.94	0	5	0	58	358.463	4	↓ MOL2 SDF SMILES Flexibase

6729698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-acetyl-N-benzyl-N,2-dimethyl-indoline-5-sulfonamide 1-acetyl-N-benzyl-N,2-dimethyl-i…

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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)	2.41	7.94	-16.67	0	5	0	58	358.463	4	↓ MOL2 SDF SMILES Flexibase

6729704

Analogs

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Popular Name: 1-acetyl-N-[(2-chlorophenyl)methyl]-2-methyl-indoline-5-sulfonamide 1-acetyl-N-[(2-chlorophenyl)meth…

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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)	2.80	6.48	-15.38	1	5	0	66	378.881	4	↓ MOL2 SDF SMILES Flexibase

6729707

Analogs

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Popular Name: 1-acetyl-N-[(2-chlorophenyl)methyl]-2-methyl-indoline-5-sulfonamide 1-acetyl-N-[(2-chlorophenyl)meth…

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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)	2.80	6.5	-15.39	1	5	0	66	378.881	4	↓ MOL2 SDF SMILES Flexibase

6729834

Analogs

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Popular Name: 1-acetyl-N-[(3-methoxyphenyl)methyl]-2-methyl-indoline-5-sulfonamide 1-acetyl-N-[(3-methoxyphenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	5.36	-14.92	1	6	0	76	374.462	5	↓ MOL2 SDF SMILES Flexibase

6729837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-acetyl-N-[(3-methoxyphenyl)methyl]-2-methyl-indoline-5-sulfonamide 1-acetyl-N-[(3-methoxyphenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	5.37	-14.91	1	6	0	76	374.462	5	↓ MOL2 SDF SMILES Flexibase

6729846

Analogs

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Popular Name: 1-acetyl-N-[(4-fluorophenyl)methyl]-2-methyl-indoline-5-sulfonamide 1-acetyl-N-[(4-fluorophenyl)meth…

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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)	2.33	6.16	-16.78	1	5	0	66	362.426	4	↓ MOL2 SDF SMILES Flexibase

6729849

Analogs

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Popular Name: 1-acetyl-N-[(4-fluorophenyl)methyl]-2-methyl-indoline-5-sulfonamide 1-acetyl-N-[(4-fluorophenyl)meth…

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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)	2.33	6.13	-16.5	1	5	0	66	362.426	4	↓ MOL2 SDF SMILES Flexibase

6730024

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N,2-dimethyl-1-propanoyl-indoline-5-sulfonamide N-benzyl-N,2-dimethyl-1-propanoy…

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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)	2.58	-2.02	-13.79	0	5	0	57	372.49	5	↓ MOL2 SDF SMILES Flexibase

6730027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N,2-dimethyl-1-propanoyl-indoline-5-sulfonamide N-benzyl-N,2-dimethyl-1-propanoy…

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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)	2.58	-2.11	-13.82	0	5	0	57	372.49	5	↓ MOL2 SDF SMILES Flexibase

6730072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-propanoyl-N-(p-tolylmethyl)indoline-5-sulfonamide 2-methyl-1-propanoyl-N-(p-tolylm…

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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)	2.78	-3.66	-13.31	1	5	0	66	372.49	5	↓ MOL2 SDF SMILES Flexibase

6730075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-propanoyl-N-(p-tolylmethyl)indoline-5-sulfonamide 2-methyl-1-propanoyl-N-(p-tolylm…

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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)	2.78	-3.66	-13.32	1	5	0	66	372.49	5	↓ MOL2 SDF SMILES Flexibase

6730159

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-2-methyl-1-propanoyl-indoline-5-sulfonamide N-[(3-methoxyphenyl)methyl]-2-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)	2.37	6.15	-14.33	1	6	0	76	388.489	6	↓ MOL2 SDF SMILES Flexibase

6730162

Analogs

35448992

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxyphenyl)methyl]-2-methyl-1-propanoyl-indoline-5-sulfonamide N-[(3-methoxyphenyl)methyl]-2-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)	2.37	6.14	-14.32	1	6	0	76	388.489	6	↓ MOL2 SDF SMILES Flexibase

6730170

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-methyl-1-propanoyl-indoline-5-sulfonamide N-[(4-fluorophenyl)methyl]-2-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	6.92	-14.55	1	5	0	66	376.453	5	↓ MOL2 SDF SMILES Flexibase

6730172

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-2-methyl-1-propanoyl-indoline-5-sulfonamide N-[(4-fluorophenyl)methyl]-2-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	6.91	-14.64	1	5	0	66	376.453	5	↓ MOL2 SDF SMILES Flexibase

6730236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-butyl-2-methyl-1-propanoyl-indoline-5-sulfonamide N-benzyl-N-butyl-2-methyl-1-prop…

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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)	4.02	11.14	-13.11	0	5	0	58	414.571	8	↓ MOL2 SDF SMILES Flexibase

6730240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-butyl-2-methyl-1-propanoyl-indoline-5-sulfonamide N-benzyl-N-butyl-2-methyl-1-prop…

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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)	4.02	11.14	-13.08	0	5	0	58	414.571	8	↓ MOL2 SDF SMILES Flexibase

6730243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-ethyl-2-methyl-1-propanoyl-indoline-5-sulfonamide N-benzyl-N-ethyl-2-methyl-1-prop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	-1.99	-14.2	0	5	0	57	386.517	6	↓ MOL2 SDF SMILES Flexibase

6730246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-ethyl-2-methyl-1-propanoyl-indoline-5-sulfonamide N-benzyl-N-ethyl-2-methyl-1-prop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	-1.96	-13.6	0	5	0	57	386.517	6	↓ MOL2 SDF SMILES Flexibase

6730255

Analogs

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Popular Name: BRD-A89867213-001-01-4 BRD-A89867213-001-01-4

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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)	2.34	6.85	-13.23	1	5	0	66	358.463	5	↓ MOL2 SDF SMILES Flexibase

6730258

Analogs

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Popular Name: BRD-A89867213-001-01-4 BRD-A89867213-001-01-4

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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)	2.34	6.84	-13.23	1	5	0	66	358.463	5	↓ MOL2 SDF SMILES Flexibase

6730344

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-methyl-1-propanoyl-indoline-5-sulfonamide N-[(4-chlorophenyl)methyl]-2-met…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.01	-4.13	-13.97	1	5	0	66	392.908	5	↓ MOL2 SDF SMILES Flexibase

6730347

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-methyl-1-propanoyl-indoline-5-sulfonamide N-[(4-chlorophenyl)methyl]-2-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.01	-4.13	-14.15	1	5	0	66	392.908	5	↓ MOL2 SDF SMILES Flexibase

6878179

Analogs

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Popular Name: 1-acetyl-N-[(4-chlorophenyl)methyl]-2-methyl-indoline-5-sulfonamide 1-acetyl-N-[(4-chlorophenyl)meth…

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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)	2.85	6.61	-16.18	1	5	0	66	378.881	4	↓ MOL2 SDF SMILES Flexibase

6878180

Analogs

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Popular Name: 1-acetyl-N-[(4-chlorophenyl)methyl]-2-methyl-indoline-5-sulfonamide 1-acetyl-N-[(4-chlorophenyl)meth…

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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)	2.85	6.58	-15.88	1	5	0	66	378.881	4	↓ MOL2 SDF SMILES Flexibase

15936716

Analogs

15936717
15936718
15936719

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(2R)-1-acetyl-2-methyl-indolin-5-yl]sulfonylamino]-3-(4-bromophenyl)propanoic (3S)-3-[[(2R)-1-acetyl-2-methyl-…

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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)	2.67	8.64	-59.4	1	7	-1	107	480.36	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.67	6.64	-21.43	2	7	0	104	481.368	6	↓ MOL2 SDF SMILES Flexibase

15936717

Analogs

15936718
15936719
15936716

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(2S)-1-acetyl-2-methyl-indolin-5-yl]sulfonylamino]-3-(4-bromophenyl)propanoic (3S)-3-[[(2S)-1-acetyl-2-methyl-…

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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)	2.67	8.31	-58.82	1	7	-1	107	480.36	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.67	6.31	-21.26	2	7	0	104	481.368	6	↓ MOL2 SDF SMILES Flexibase

15936718

Analogs

15936719
15936716
15936717

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(2R)-1-acetyl-2-methyl-indolin-5-yl]sulfonylamino]-3-(4-bromophenyl)propanoic (3R)-3-[[(2R)-1-acetyl-2-methyl-…

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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)	2.67	8.02	-50.73	1	7	-1	107	480.36	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.67	6.05	-20.02	2	7	0	104	481.368	6	↓ MOL2 SDF SMILES Flexibase

15936719

Analogs

15936716
15936717

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(2S)-1-acetyl-2-methyl-indolin-5-yl]sulfonylamino]-3-(4-bromophenyl)propanoic (3R)-3-[[(2S)-1-acetyl-2-methyl-…

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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)	2.67	8.03	-51.57	1	7	-1	107	480.36	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.67	6.05	-19.98	2	7	0	104	481.368	6	↓ MOL2 SDF SMILES Flexibase

56105078

Analogs

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Popular Name: (2S)-1-acetyl-N-[(2,4-dimethylphenyl)methyl]-2-methyl-indoline-5-sulfonamide (2S)-1-acetyl-N-[(2,4-dimethylph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	7.41	-15.74	1	5	0	66	372.49	4	↓ MOL2 SDF SMILES Flexibase

56105079

Analogs

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Popular Name: (2R)-1-acetyl-N-[(2,4-dimethylphenyl)methyl]-2-methyl-indoline-5-sulfonamide (2R)-1-acetyl-N-[(2,4-dimethylph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	7.39	-15.8	1	5	0	66	372.49	4	↓ MOL2 SDF SMILES Flexibase

56105110

Analogs

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Popular Name: 1-acetyl-N-[(2,4-dimethylphenyl)methyl]indoline-5-sulfonamide 1-acetyl-N-[(2,4-dimethylphenyl)…

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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)	2.66	6.84	-16.34	1	5	0	66	358.463	4	↓ MOL2 SDF SMILES Flexibase

56119292

Analogs

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Popular Name: 1-acetyl-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-methyl-indoline-5-sulfonamide 1-acetyl-N-[(1S)-1-(3-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)	3.29	8.48	-16.4	0	5	0	58	392.908	4	↓ MOL2 SDF SMILES Flexibase

56119294

Analogs

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Popular Name: 1-acetyl-N-[(1R)-1-(3-chlorophenyl)ethyl]-N-methyl-indoline-5-sulfonamide 1-acetyl-N-[(1R)-1-(3-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)	3.29	8.14	-16.63	0	5	0	58	392.908	4	↓ MOL2 SDF SMILES Flexibase

41594346

Analogs

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Popular Name: 1-acetyl-N-[1-(4-fluorophenyl)-1-methyl-ethyl]indoline-5-sulfonamide 1-acetyl-N-[1-(4-fluorophenyl)-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)	3.01	6.54	-16.18	1	5	0	66	376.453	4	↓ MOL2 SDF SMILES Flexibase

42007867

Analogs

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Popular Name: 1-acetyl-N-[(3-cyanophenyl)methyl]indoline-5-sulfonamide 1-acetyl-N-[(3-cyanophenyl)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)	1.57	6.01	-20.97	1	6	0	90	355.419	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 3984
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 = 3984 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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', {
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