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ZINC Item

Suppliers, Protomers, & Similar Substances

52943400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methoxy-5-methyl-phenyl)-(2-methyl-1H-indol-3-yl)methanone (2-methoxy-5-methyl-phenyl)-(2-m…

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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)	4.20	9.82	-12.71	1	3	0	42	279.339	3	↓ MOL2 SDF SMILES Flexibase

52943401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-indol-3-yl-(2-methoxy-5-methyl-phenyl)methanone 1H-indol-3-yl-(2-methoxy-5-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)	3.98	8.08	-14.25	1	3	0	42	265.312	3	↓ MOL2 SDF SMILES Flexibase

52943409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methoxy-5-methyl-phenyl)-(1-methylindol-3-yl)methanone (2-methoxy-5-methyl-phenyl)-(1-m…

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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)	4.04	9.77	-14.83	0	3	0	31	279.339	3	↓ MOL2 SDF SMILES Flexibase

52943414

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methoxy-5-methyl-phenyl)-(4-methyl-1H-indol-3-yl)methanone (2-methoxy-5-methyl-phenyl)-(4-m…

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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)	4.38	9.77	-12.15	1	3	0	42	279.339	3	↓ MOL2 SDF SMILES Flexibase

52943415

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methoxy-5-methyl-phenyl)-(6-methyl-1H-indol-3-yl)methanone (2-methoxy-5-methyl-phenyl)-(6-m…

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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)	4.40	8.75	-14.1	1	3	0	42	279.339	3	↓ MOL2 SDF SMILES Flexibase

52943416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-chloro-1H-indol-3-yl)-(2-methoxy-5-methyl-phenyl)methanone (6-chloro-1H-indol-3-yl)-(2-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)	4.63	8.59	-12.28	1	3	0	42	299.757	3	↓ MOL2 SDF SMILES Flexibase

52943417

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-fluoro-1H-indol-3-yl)-(2-methoxy-5-methyl-phenyl)methanone (6-fluoro-1H-indol-3-yl)-(2-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)	4.12	8.15	-12.39	1	3	0	42	283.302	3	↓ MOL2 SDF SMILES Flexibase

62664714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-fluoro-2-methyl-phenyl)-(2-methyl-1H-indol-3-yl)methanone (5-fluoro-2-methyl-phenyl)-(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)	4.30	9.33	-8.43	1	2	0	33	267.303	2	↓ MOL2 SDF SMILES Flexibase

62664720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-fluoro-2-methyl-phenyl)-(1H-indol-3-yl)methanone (5-fluoro-2-methyl-phenyl)-(1H-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)	4.08	8.69	-12.77	1	2	0	33	253.276	2	↓ MOL2 SDF SMILES Flexibase

62664750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-fluoro-2-methyl-phenyl)-(1-methylindol-3-yl)methanone (5-fluoro-2-methyl-phenyl)-(1-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)	4.15	10.37	-13.01	0	2	0	22	267.303	2	↓ MOL2 SDF SMILES Flexibase

62664762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-fluoro-2-methyl-phenyl)-(5-methoxy-1H-indol-3-yl)methanone (5-fluoro-2-methyl-phenyl)-(5-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)	4.12	7.97	-16.42	1	3	0	42	283.302	3	↓ MOL2 SDF SMILES Flexibase

62664792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-fluoro-2-methyl-phenyl)-(4-methyl-1H-indol-3-yl)methanone (5-fluoro-2-methyl-phenyl)-(4-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)	4.48	9.3	-8.2	1	2	0	33	267.303	2	↓ MOL2 SDF SMILES Flexibase

62664794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-fluoro-2-methyl-phenyl)-(6-methyl-1H-indol-3-yl)methanone (5-fluoro-2-methyl-phenyl)-(6-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)	4.51	9.36	-12.3	1	2	0	33	267.303	2	↓ MOL2 SDF SMILES Flexibase

62664797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-fluoro-1H-indol-3-yl)-(5-fluoro-2-methyl-phenyl)methanone (6-fluoro-1H-indol-3-yl)-(5-fluo…

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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)	4.22	8.76	-11.62	1	2	0	33	271.266	2	↓ MOL2 SDF SMILES Flexibase

63005072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone (2-methyl-1H-indol-3-yl)-(3,4,5-…

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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)	4.11	8.76	-7.49	1	2	0	33	289.256	2	↓ MOL2 SDF SMILES Flexibase

63005076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-indol-3-yl-(3,4,5-trifluorophenyl)methanone 1H-indol-3-yl-(3,4,5-trifluoroph…

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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)	3.89	7.96	-11.07	1	2	0	33	275.229	2	↓ MOL2 SDF SMILES Flexibase

63005129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-methylindol-3-yl)-(3,4,5-trifluorophenyl)methanone (1-methylindol-3-yl)-(3,4,5-trif…

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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)	3.96	9.65	-10.88	0	2	0	22	289.256	2	↓ MOL2 SDF SMILES Flexibase

63005133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone (5-bromo-1H-indol-3-yl)-(3,4,5-t…

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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)	4.67	8.59	-12.19	1	2	0	33	354.125	2	↓ MOL2 SDF SMILES Flexibase

63005172

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone (4-methyl-1H-indol-3-yl)-(3,4,5-…

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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)	4.29	8.68	-7.47	1	2	0	33	289.256	2	↓ MOL2 SDF SMILES Flexibase

63005177

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone (6-methyl-1H-indol-3-yl)-(3,4,5-…

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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)	4.32	8.63	-10.89	1	2	0	33	289.256	2	↓ MOL2 SDF SMILES Flexibase

63005179

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-chloro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone (6-chloro-1H-indol-3-yl)-(3,4,5-…

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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)	4.54	8.47	-10.46	1	2	0	33	309.674	2	↓ MOL2 SDF SMILES Flexibase

63005182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone (6-fluoro-1H-indol-3-yl)-(3,4,5-…

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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)	4.03	8.03	-10.77	1	2	0	33	293.219	2	↓ MOL2 SDF SMILES Flexibase

63005270

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-bromo-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone (6-bromo-1H-indol-3-yl)-(3,4,5-t…

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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)	4.67	8.58	-10.52	1	2	0	33	354.125	2	↓ MOL2 SDF SMILES Flexibase

41506966

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-chlorophenyl)-(5-methoxy-2-methyl-1H-indol-3-yl)methanone (2-chlorophenyl)-(5-methoxy-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)	4.43	8.37	-12.98	1	3	0	42	299.757	3	↓ MOL2 SDF SMILES Flexibase

41539600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-tert-butylphenyl)-(5-methoxy-1H-indol-3-yl)methanone (4-tert-butylphenyl)-(5-methoxy-…

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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)	5.28	9.39	-16.46	1	3	0	42	307.393	4	↓ MOL2 SDF SMILES Flexibase

41547042

Analogs

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Popular Name: (2,6-dimethoxyphenyl)-(5-methoxy-1H-indol-3-yl)methanone (2,6-dimethoxyphenyl)-(5-methoxy…

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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)	3.59	6.05	-21.94	1	5	0	61	311.337	5	↓ MOL2 SDF SMILES Flexibase

41547045

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-3-yl)methanone (3,5-dimethoxyphenyl)-(5-methoxy…

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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)	3.62	5.67	-17.68	1	5	0	61	311.337	5	↓ MOL2 SDF SMILES Flexibase

37222428

Analogs

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Popular Name: (3-bromophenyl)-(6-nitro-1H-indol-3-yl)methanone (3-bromophenyl)-(6-nitro-1H-indo…

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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)	4.26	9.11	-11.72	1	5	0	79	345.152	3	↓ MOL2 SDF SMILES Flexibase

37222439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-nitro-1H-indol-3-yl)-phenyl-methanone (6-nitro-1H-indol-3-yl)-phenyl-m…

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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)	3.48	8.48	-14.3	1	5	0	79	266.256	3	↓ MOL2 SDF SMILES Flexibase

37222440

Analogs

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Popular Name: (2-chlorophenyl)-(6-nitro-1H-indol-3-yl)methanone (2-chlorophenyl)-(6-nitro-1H-ind…

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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)	4.11	9.2	-13.02	1	5	0	79	300.701	3	↓ MOL2 SDF SMILES Flexibase

37222443

Analogs

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Popular Name: (4-iodophenyl)-(6-nitro-1H-indol-3-yl)methanone (4-iodophenyl)-(6-nitro-1H-indol…

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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)	4.56	9.56	-13.51	1	5	0	79	392.152	3	↓ MOL2 SDF SMILES Flexibase

37222446

Analogs

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Popular Name: (3-iodophenyl)-(6-nitro-1H-indol-3-yl)methanone (3-iodophenyl)-(6-nitro-1H-indol…

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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)	4.54	9.59	-11.36	1	5	0	79	392.152	3	↓ MOL2 SDF SMILES Flexibase

37222454

Analogs

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Popular Name: m-tolyl-(6-nitro-1H-indol-3-yl)methanone m-tolyl-(6-nitro-1H-indol-3-yl)m…

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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)	3.90	9.13	-13.96	1	5	0	79	280.283	3	↓ MOL2 SDF SMILES Flexibase

37222459

Analogs

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Popular Name: (3-fluorophenyl)-(6-nitro-1H-indol-3-yl)methanone (3-fluorophenyl)-(6-nitro-1H-ind…

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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)	3.62	8.52	-17.03	1	5	0	79	284.246	3	↓ MOL2 SDF SMILES Flexibase

37222460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-nitro-1H-indol-3-yl)-(o-tolyl)methanone (6-nitro-1H-indol-3-yl)-(o-tolyl…

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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)	3.88	9.32	-13.05	1	5	0	79	280.283	3	↓ MOL2 SDF SMILES Flexibase

37222463

Analogs

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Popular Name: (2-iodophenyl)-(6-nitro-1H-indol-3-yl)methanone (2-iodophenyl)-(6-nitro-1H-indol…

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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)	4.51	9.72	-12.27	1	5	0	79	392.152	3	↓ MOL2 SDF SMILES Flexibase

37222464

Analogs

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Popular Name: (6-nitro-1H-indol-3-yl)-(p-tolyl)methanone (6-nitro-1H-indol-3-yl)-(p-tolyl…

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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)	3.93	9.16	-14.12	1	5	0	79	280.283	3	↓ MOL2 SDF SMILES Flexibase

37222467

Analogs

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Popular Name: (2-fluorophenyl)-(6-nitro-1H-indol-3-yl)methanone (2-fluorophenyl)-(6-nitro-1H-ind…

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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)	3.59	8.82	-14	1	5	0	79	284.246	3	↓ MOL2 SDF SMILES Flexibase

37222470

Analogs

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Popular Name: (3-chlorophenyl)-(6-nitro-1H-indol-3-yl)methanone (3-chlorophenyl)-(6-nitro-1H-ind…

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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)	4.13	9	-15.83	1	5	0	79	300.701	3	↓ MOL2 SDF SMILES Flexibase

37222472

Analogs

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Popular Name: (4-chlorophenyl)-(6-nitro-1H-indol-3-yl)methanone (4-chlorophenyl)-(6-nitro-1H-ind…

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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)	4.16	8.98	-13.9	1	5	0	79	300.701	3	↓ MOL2 SDF SMILES Flexibase

37222473

Analogs

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Popular Name: (4-fluorophenyl)-(6-nitro-1H-indol-3-yl)methanone (4-fluorophenyl)-(6-nitro-1H-ind…

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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)	3.64	8.52	-14.32	1	5	0	79	284.246	3	↓ MOL2 SDF SMILES Flexibase

37222475

Analogs

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Popular Name: (4-bromophenyl)-(6-nitro-1H-indol-3-yl)methanone (4-bromophenyl)-(6-nitro-1H-indo…

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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)	4.29	9.08	-13.81	1	5	0	79	345.152	3	↓ MOL2 SDF SMILES Flexibase

37222476

Analogs

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Popular Name: (2-bromophenyl)-(6-nitro-1H-indol-3-yl)methanone (2-bromophenyl)-(6-nitro-1H-indo…

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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)	4.24	9.3	-12.8	1	5	0	79	345.152	3	↓ MOL2 SDF SMILES Flexibase

37287679

Analogs

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Popular Name: (5-bromo-2-chloro-phenyl)-(2-methyl-1H-indol-3-yl)methanone (5-bromo-2-chloro-phenyl)-(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)	5.18	9.71	-8.39	1	2	0	33	348.627	2	↓ MOL2 SDF SMILES Flexibase

37287680

Analogs

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Popular Name: (5-bromo-2-chloro-phenyl)-(1H-indol-3-yl)methanone (5-bromo-2-chloro-phenyl)-(1H-in…

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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)	4.96	9.12	-10.98	1	2	0	33	334.6	2	↓ MOL2 SDF SMILES Flexibase

37287681

Analogs

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Popular Name: (5-bromo-2-chloro-phenyl)-(7-ethyl-1H-indol-3-yl)methanone (5-bromo-2-chloro-phenyl)-(7-eth…

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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)	5.83	10.52	-10.56	1	2	0	33	362.654	3	↓ MOL2 SDF SMILES Flexibase

37287697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-2-chloro-phenyl)-(1-methylindol-3-yl)methanone (5-bromo-2-chloro-phenyl)-(1-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)	5.03	10.8	-11.3	0	2	0	22	348.627	2	↓ MOL2 SDF SMILES Flexibase

37287700

Analogs

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Popular Name: (5-bromo-2-chloro-phenyl)-(5-bromo-1H-indol-3-yl)methanone (5-bromo-2-chloro-phenyl)-(5-bro…

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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)	5.74	9.73	-11.5	1	2	0	33	413.496	2	↓ MOL2 SDF SMILES Flexibase

37287701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-2-chloro-phenyl)-(5-methoxy-1H-indol-3-yl)methanone (5-bromo-2-chloro-phenyl)-(5-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)	4.99	8.4	-14.42	1	3	0	42	364.626	3	↓ MOL2 SDF SMILES Flexibase

37287707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-2-chloro-phenyl)-(4-methyl-1H-indol-3-yl)methanone (5-bromo-2-chloro-phenyl)-(4-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)	5.36	9.61	-8.23	1	2	0	33	348.627	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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