ZINC 12

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)	0.19	5.65	-54.38	3	4	1	61	300.407	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.19	5.25	-10	2	4	0	59	299.399	3	↓ MOL2 SDF SMILES Flexibase

44611234

Analogs

48606813
49389269
15832146
3209447
42125063

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminoprop-1-ynyl)-N-methyl-N-[(2-methylthiazol-4-yl)methyl]benzamide 2-(3-aminoprop-1-ynyl)-N-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)	0.14	5.6	-48.98	3	4	1	61	300.407	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.14	5.19	-12.86	2	4	0	59	299.399	3	↓ MOL2 SDF SMILES Flexibase

44611236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(2-methylthiazol-4-yl)methyl]benzamide 3-(3-aminoprop-1-ynyl)-N-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)	0.17	5.65	-52.96	3	4	1	61	300.407	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.17	5.24	-11.74	2	4	0	59	299.399	3	↓ MOL2 SDF SMILES Flexibase

54414955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-methyl-4-nitro-N-(thiazol-4-ylmethyl)benzamide 3-amino-N-methyl-4-nitro-N-(thia…

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)	0.84	4.15	-9.92	2	7	0	105	292.32	4	↓ MOL2 SDF SMILES Flexibase

54414956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-3-(methylamino)-4-nitro-N-(thiazol-4-ylmethyl)benzamide N-methyl-3-(methylamino)-4-nitro…

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)	1.22	5.08	-15.47	1	7	0	91	306.347	5	↓ MOL2 SDF SMILES Flexibase

54414968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-methyl-N-[(2-methylthiazol-4-yl)methyl]-4-nitro-benzamide 3-amino-N-methyl-N-[(2-methylthi…

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)	0.56	4.89	-10.02	2	7	0	105	306.347	4	↓ MOL2 SDF SMILES Flexibase

54415117

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(2-methylthiazol-4-yl)methyl]-4-nitro-benzamide 3-amino-N-[(2-methylthiazol-4-yl…

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)	0.78	3.16	-10.75	3	7	0	114	292.32	4	↓ MOL2 SDF SMILES Flexibase

54415118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(methylamino)-N-[(2-methylthiazol-4-yl)methyl]-4-nitro-benzamide 3-(methylamino)-N-[(2-methylthia…

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)	1.16	4.11	-10.81	2	7	0	100	306.347	5	↓ MOL2 SDF SMILES Flexibase

54415586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydrazino-N-methyl-4-nitro-N-(thiazol-4-ylmethyl)benzamide 3-hydrazino-N-methyl-4-nitro-N-(…

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)	0.60	3.89	-10.51	3	8	0	117	307.335	5	↓ MOL2 SDF SMILES Flexibase

54415690

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydrazino-N-[(2-methylthiazol-4-yl)methyl]-4-nitro-benzamide 3-hydrazino-N-[(2-methylthiazol-…

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)	0.54	2.87	-11.39	4	8	0	126	307.335	5	↓ MOL2 SDF SMILES Flexibase

54416509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(2-methylthiazol-4-yl)methyl]-4-nitro-benzamide 3-fluoro-N-[(2-methylthiazol-4-y…

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)	1.46	5.12	-13.14	1	6	0	88	295.295	4	↓ MOL2 SDF SMILES Flexibase

54416578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-methyl-4-nitro-N-(thiazol-4-ylmethyl)benzamide 3-fluoro-N-methyl-4-nitro-N-(thi…

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)	1.52	6.14	-12.43	0	6	0	79	295.295	4	↓ MOL2 SDF SMILES Flexibase

54416590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-methyl-N-[(2-methylthiazol-4-yl)methyl]-4-nitro-benzamide 3-fluoro-N-methyl-N-[(2-methylth…

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)	1.24	6.88	-12.53	0	6	0	79	309.322	4	↓ MOL2 SDF SMILES Flexibase

58004936

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-N-methyl-N-[(2-methylthiazol-4-yl)methyl]benzamide 4-(2-amino-2-oxo-ethoxy)-3-chlor…

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)	0.37	3.98	-17.13	2	7	0	95	383.857	7	↓ MOL2 SDF SMILES Flexibase

62820148

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(isopropylamino)-N-[(2-methylthiazol-4-yl)methyl]benzamide 2-(isopropylamino)-N-[(2-methylt…

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)	2.56	5.09	-8.89	2	4	0	54	289.404	5	↓ MOL2 SDF SMILES Flexibase

62820264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(isopropylamino)-N-methyl-N-(thiazol-4-ylmethyl)benzamide 2-(isopropylamino)-N-methyl-N-(t…

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	5.91	-12.39	1	4	0	45	289.404	5	↓ MOL2 SDF SMILES Flexibase

62820287

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(isopropylamino)-N-methyl-N-[(2-methylthiazol-4-yl)methyl]benzamide 2-(isopropylamino)-N-methyl-N-[(…

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)	2.34	6.69	-7.7	1	4	0	45	303.431	5	↓ MOL2 SDF SMILES Flexibase

62823231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-fluoro-N-[(2-methylthiazol-4-yl)methyl]benzamide 2-amino-4-fluoro-N-[(2-methylthi…

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)	0.99	2.66	-7.96	3	4	0	68	265.313	3	↓ MOL2 SDF SMILES Flexibase

62823328

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-fluoro-N-methyl-N-(thiazol-4-ylmethyl)benzamide 2-amino-4-fluoro-N-methyl-N-(thi…

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)	1.05	3.59	-7.01	2	4	0	59	265.313	3	↓ MOL2 SDF SMILES Flexibase

62823354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-fluoro-N-methyl-N-[(2-methylthiazol-4-yl)methyl]benzamide 2-amino-4-fluoro-N-methyl-N-[(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)	0.76	4.32	-7.16	2	4	0	59	279.34	3	↓ MOL2 SDF SMILES Flexibase

63005987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(ethylamino)-3,5-difluoro-N-methyl-N-(thiazol-4-ylmethyl)benzamide 4-(ethylamino)-3,5-difluoro-N-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)	1.89	5.06	-13.16	1	4	0	45	311.357	5	↓ MOL2 SDF SMILES Flexibase

63005988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-3,5-difluoro-N-methyl-N-(thiazol-4-ylmethyl)benzamide 4-amino-3,5-difluoro-N-methyl-N-…

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)	1.14	3.48	-7.61	2	4	0	59	283.303	3	↓ MOL2 SDF SMILES Flexibase

63005991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-difluoro-N-methyl-4-(methylamino)-N-(thiazol-4-ylmethyl)benzamide 3,5-difluoro-N-methyl-4-(methyla…

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)	1.51	4.26	-13.46	1	4	0	45	297.33	4	↓ MOL2 SDF SMILES Flexibase

63006037

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-3,5-difluoro-N-methyl-N-[(2-methylthiazol-4-yl)methyl]benzamide 4-amino-3,5-difluoro-N-methyl-N-…

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)	0.85	4.2	-7.8	2	4	0	59	297.33	3	↓ MOL2 SDF SMILES Flexibase

63006038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-difluoro-N-methyl-4-(methylamino)-N-[(2-methylthiazol-4-yl)methyl]benzamide 3,5-difluoro-N-methyl-4-(methyla…

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)	1.23	5.01	-7.81	1	4	0	45	311.357	4	↓ MOL2 SDF SMILES Flexibase

63006494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(ethylamino)-3,5-difluoro-N-[(2-methylthiazol-4-yl)methyl]benzamide 4-(ethylamino)-3,5-difluoro-N-[(…

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)	1.83	4.05	-8.53	2	4	0	54	311.357	5	↓ MOL2 SDF SMILES Flexibase

63006498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-3,5-difluoro-N-[(2-methylthiazol-4-yl)methyl]benzamide 4-amino-3,5-difluoro-N-[(2-methy…

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)	1.08	2.44	-8.87	3	4	0	68	283.303	3	↓ MOL2 SDF SMILES Flexibase

63006499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-difluoro-4-(methylamino)-N-[(2-methylthiazol-4-yl)methyl]benzamide 3,5-difluoro-4-(methylamino)-N-[…

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)	1.45	3.25	-8.8	2	4	0	54	297.33	4	↓ MOL2 SDF SMILES Flexibase

63007574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-difluoro-4-hydrazino-N-methyl-N-(thiazol-4-ylmethyl)benzamide 3,5-difluoro-4-hydrazino-N-methy…

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)	0.90	3.29	-8.44	3	5	0	71	298.318	4	↓ MOL2 SDF SMILES Flexibase

63007582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-difluoro-4-hydrazino-N-methyl-N-[(2-methylthiazol-4-yl)methyl]benzamide 3,5-difluoro-4-hydrazino-N-methy…

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)	0.61	4	-8.74	3	5	0	71	312.345	4	↓ MOL2 SDF SMILES Flexibase

63007779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-difluoro-4-hydrazino-N-[(2-methylthiazol-4-yl)methyl]benzamide 3,5-difluoro-4-hydrazino-N-[(2-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)	0.84	2.26	-9.67	4	5	0	80	298.318	4	↓ MOL2 SDF SMILES Flexibase

63011697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trifluoro-N-[(2-methylthiazol-4-yl)methyl]benzamide 3,4,5-trifluoro-N-[(2-methylthia…

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)	1.76	4.56	-8.47	1	3	0	42	286.278	3	↓ MOL2 SDF SMILES Flexibase

63011775

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trifluoro-N-methyl-N-(thiazol-4-ylmethyl)benzamide 3,4,5-trifluoro-N-methyl-N-(thia…

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)	1.82	5.59	-7.45	0	3	0	33	286.278	3	↓ MOL2 SDF SMILES Flexibase

63011790

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trifluoro-N-methyl-N-[(2-methylthiazol-4-yl)methyl]benzamide 3,4,5-trifluoro-N-methyl-N-[(2-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)	1.53	6.33	-7.59	0	3	0	33	300.305	3	↓ MOL2 SDF SMILES Flexibase

66737979

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-nitro-N-(thiazol-4-ylmethyl)benzamide 3-fluoro-4-nitro-N-(thiazol-4-yl…

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)	1.75	4.38	-11.15	1	6	0	88	281.268	4	↓ MOL2 SDF SMILES Flexibase

63940690

Analogs

42828910
42829024

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-4-[methyl(propyl)amino]-N-(thiazol-4-ylmethyl)benzamide N-methyl-4-[methyl(propyl)amino]…

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	7.5	-15.27	0	4	0	36	303.431	6	↓ MOL2 SDF SMILES Flexibase

69518592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-tert-butylthiazol-4-yl)methyl]-2,6-difluoro-benzamide N-[(2-tert-butylthiazol-4-yl)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)	3.37	6.19	-12.61	1	3	0	42	310.369	4	↓ MOL2 SDF SMILES Flexibase

55053607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-aminothiazol-4-yl)methyl]-3-(pentanoylamino)benzamide N-[(2-aminothiazol-4-yl)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)	2.40	3.92	-20.44	4	6	0	97	332.429	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.40	4.38	-44.51	5	6	1	98	333.437	7	↓ MOL2 SDF SMILES Flexibase

55152869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(2-methylallyloxy)-N-[(2-methylthiazol-4-yl)methyl]benzamide N-methyl-2-(2-methylallyloxy)-N-…

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)	2.94	8.56	-12.12	0	4	0	42	316.426	6	↓ MOL2 SDF SMILES Flexibase

65554145

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-isopropylthiazol-4-yl)methyl]-3-(propanoylamino)benzamide N-[(2-isopropylthiazol-4-yl)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)	2.50	5.46	-19.75	2	5	0	71	331.441	6	↓ MOL2 SDF SMILES Flexibase

69739023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-isopropylthiazol-4-yl)ethyl]-3-(2-methoxyethoxy)benzamide N-[(1R)-1-(2-isopropylthiazol-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)	2.95	6.29	-15.57	1	5	0	60	348.468	8	↓ MOL2 SDF SMILES Flexibase

69739024

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-isopropylthiazol-4-yl)ethyl]-3-(2-methoxyethoxy)benzamide N-[(1S)-1-(2-isopropylthiazol-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)	2.95	6.29	-15.54	1	5	0	60	348.468	8	↓ MOL2 SDF SMILES Flexibase

69773204

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)	2.04	6.47	-10.97	1	8	0	114	349.368	7	↓ MOL2 SDF SMILES Flexibase

69847584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-isopropylthiazol-4-yl)ethyl]-4-methoxy-3-nitro-benzamide N-[(1R)-1-(2-isopropylthiazol-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)	2.97	7.58	-20.08	1	7	0	97	349.412	6	↓ MOL2 SDF SMILES Flexibase

69847587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-isopropylthiazol-4-yl)ethyl]-4-methoxy-3-nitro-benzamide N-[(1S)-1-(2-isopropylthiazol-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)	2.97	7.59	-20.1	1	7	0	97	349.412	6	↓ MOL2 SDF SMILES Flexibase

67166987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-ethylsulfonyl-N-(thiazol-4-ylmethyl)benzamide 2-chloro-5-ethylsulfonyl-N-(thia…

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)	1.55	2.58	-15.68	1	5	0	76	344.845	5	↓ MOL2 SDF SMILES Flexibase

40445205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-5-methoxy-N-[(2-methylthiazol-4-yl)methyl]benzamide 2-bromo-5-methoxy-N-[(2-methylth…

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)	2.21	4.3	-10.08	1	4	0	51	341.23	4	↓ MOL2 SDF SMILES Flexibase

40445208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[(2-methylthiazol-4-yl)methyl]benzamide 3-bromo-N-[(2-methylthiazol-4-yl…

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)	2.20	4.99	-10.37	1	3	0	42	311.204	3	↓ MOL2 SDF SMILES Flexibase

40445211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-4-methoxy-N-[(2-methylthiazol-4-yl)methyl]benzamide 3-bromo-4-methoxy-N-[(2-methylth…

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)	2.21	4.34	-11.84	1	4	0	51	341.23	4	↓ MOL2 SDF SMILES Flexibase

40445212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4-fluoro-N-[(2-methylthiazol-4-yl)methyl]benzamide 2-bromo-4-fluoro-N-[(2-methylthi…

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)	2.31	5.07	-9.33	1	3	0	42	329.194	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 8613
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 = 8613 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=8613&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": "8613"        

    });
</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