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)	2.21	7.5	-102.57	2	3	2	42	239.322	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.21	5.07	-38.92	1	3	1	41	238.314	1	↓ MOL2 SDF SMILES Flexibase

52542090

Analogs

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Popular Name: 3-(1,2,3,6-Tetrahydropyridin-4-yl)-1H-indole 3-(1,2,3,6-Tetrahydropyridin-4-y…

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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)	1.88	4.87	-93.48	3	2	2	31	200.285	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.88	3.5	-27.25	2	2	1	26	199.277	1	↓ MOL2 SDF SMILES Flexibase

52565293

Analogs

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Popular Name: (4Z)-2-morpholino-4-(2H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-1H-imidazol-5-one (4Z)-2-morpholino-4-(2H-pyrrolo[…

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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)	0.41	4.63	-43.45	2	7	1	85	298.326	2	↓ MOL2 SDF SMILES Flexibase

52565295

Analogs

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Popular Name: (4Z)-2-(4-methyl-1-piperidyl)-4-(2H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-1H-imidazol-5-one (4Z)-2-(4-methyl-1-piperidyl)-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)	1.72	7.68	-41.76	2	6	1	76	310.381	2	↓ MOL2 SDF SMILES Flexibase

52565297

Analogs

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Popular Name: (4Z)-2-[(2R)-2-methylmorpholin-4-yl]-4-(2H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-1H-imidazol-5-one (4Z)-2-[(2R)-2-methylmorpholin-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)	0.78	5.4	-43.37	2	7	1	85	312.353	2	↓ MOL2 SDF SMILES Flexibase

52565329

Analogs

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Popular Name: (4Z)-2-[(4-methylcyclohexyl)amino]-4-(2H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-1H-imidazol-5-one (4Z)-2-[(4-methylcyclohexyl)amin…

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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)	2.00	7.06	-28.03	2	6	0	87	323.4	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.00	7.64	-41.29	3	6	1	85	324.408	3	↓ MOL2 SDF SMILES Flexibase

52565520

Analogs

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Popular Name: 4-[5-(4-chlorophenyl)-2H-pyrrolo[2,3-b]pyridin-3-yl]benzoic 4-[5-(4-chlorophenyl)-2H-pyrrolo…

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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)	5.08	10.82	-65.74	1	4	0	67	348.789	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.08	11.27	-139.74	2	4	1	68	349.797	3	↓ MOL2 SDF SMILES Flexibase

63102143

Analogs

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Popular Name: (3R,9aS)-1,1-dimethyl-2,3,4,9a-tetrahydropyrido[3,4-b]indole-3-carboxylic (3R,9aS)-1,1-dimethyl-2,3,4,9a-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)	0.35	5.86	-64.15	3	4	1	71	245.302	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.35	4.76	-45.95	2	4	0	66	244.294	1	↓ MOL2 SDF SMILES Flexibase

63102146

Analogs

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Popular Name: (3R,9aR)-1,1-dimethyl-2,3,4,9a-tetrahydropyrido[3,4-b]indole-3-carboxylic (3R,9aR)-1,1-dimethyl-2,3,4,9a-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)	0.35	5.17	-62.64	3	4	1	71	245.302	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.35	4.18	-38.54	2	4	0	66	244.294	1	↓ MOL2 SDF SMILES Flexibase

63102149

Analogs

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Popular Name: (3S,9aS)-1,1-dimethyl-2,3,4,9a-tetrahydropyrido[3,4-b]indole-3-carboxylic (3S,9aS)-1,1-dimethyl-2,3,4,9a-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)	0.35	5.16	-62.58	3	4	1	71	245.302	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.35	4.18	-34.5	2	4	0	66	244.294	1	↓ MOL2 SDF SMILES Flexibase

63102152

Analogs

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Popular Name: (3S,9aR)-1,1-dimethyl-2,3,4,9a-tetrahydropyrido[3,4-b]indole-3-carboxylic (3S,9aR)-1,1-dimethyl-2,3,4,9a-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)	0.35	5.82	-64.57	3	4	1	71	245.302	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.35	4.81	-46.43	2	4	0	66	244.294	1	↓ MOL2 SDF SMILES Flexibase

63237039

Analogs

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Popular Name: (3R)-N-[(2S)-2-(4-dimethylaminophenyl)-2-(2H-indol-3-yl)ethyl]-5-oxo-1-(p-tolylmethyl)pyrrolidine-3- (3R)-N-[(2S)-2-(4-dimethylaminop…

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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)	4.83	12.52	-43.64	2	6	1	67	495.647	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.83	13.31	-51.34	3	6	0	68	496.655	8	↓ MOL2 SDF SMILES Flexibase

63237041

Analogs

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Popular Name: (3S)-N-[(2S)-2-(4-dimethylaminophenyl)-2-(2H-indol-3-yl)ethyl]-5-oxo-1-(p-tolylmethyl)pyrrolidine-3- (3S)-N-[(2S)-2-(4-dimethylaminop…

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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)	4.83	12.53	-43.06	2	6	1	67	495.647	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.83	13.32	-53.8	3	6	0	68	496.655	8	↓ MOL2 SDF SMILES Flexibase

63240918

Analogs

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Popular Name: [2-oxo-2-(2,4,5-trichloroanilino)ethyl] [2-oxo-2-(2,4,5-trichloroanilino…

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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)	5.15	11.31	-36.78	2	5	1	69	440.734	8	↓ MOL2 SDF SMILES Flexibase

63245259

Analogs

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Popular Name: (5R)-2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-(2H-indol-3-yl)-4-[[(2S)-tetrahydrofuran-2-yl]me (5R)-2-[[4-(2-ethoxyphenyl)piper…

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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)	4.28	12.05	-36.18	2	8	1	57	521.711	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.28	14.48	-92.01	3	8	2	59	522.719	8	↓ MOL2 SDF SMILES Flexibase

63245265

Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(2H-indol-3-yl)ethyl]-4-(dimethylsulfamoyl)benzamide N-[(2R)-2-(4-dimethylaminophenyl…

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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	8.27	-44.16	2	7	1	84	491.637	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.16	9.06	-53.25	3	7	0	85	492.645	8	↓ MOL2 SDF SMILES Flexibase

63245266

Analogs

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(2H-indol-3-yl)ethyl]-4-(dimethylsulfamoyl)benzamide N-[(2S)-2-(4-dimethylaminophenyl…

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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	8.27	-45.15	2	7	1	84	491.637	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.16	9.06	-51.89	3	7	0	85	492.645	8	↓ MOL2 SDF SMILES Flexibase

63246122

Analogs

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Popular Name: N-(2H-indol-3-ylmethyl)adamantan-1-amine N-(2H-indol-3-ylmethyl)adamantan…

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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)	4.57	8.5	-109.47	3	2	2	31	282.431	3	↓ MOL2 SDF SMILES Flexibase

63256665

Analogs

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Popular Name: [2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl] [2-[(1R,2S,5R)-2-isopropyl-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)	5.47	13.14	-35	1	5	1	67	386.512	9	↓ MOL2 SDF SMILES Flexibase

63258854

Analogs

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Popular Name: [2-(4-nitroanilino)-2-oxo-ethyl] [2-(4-nitroanilino)-2-oxo-ethyl]

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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)	1.80	5.18	-49.77	5	11	1	170	426.409	9	↓ MOL2 SDF SMILES Flexibase

63269910

Analogs

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Popular Name: 2-[(Z)-[(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydroc 2-[(Z)-[(8R,9S,10R,13S,14S,17S)-…

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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)	4.81	10.77	-40.98	3	6	1	85	504.695	6	↓ MOL2 SDF SMILES Flexibase

63270113

Analogs

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Popular Name: N-[(E)-1-[2-(2H-indol-3-yl)ethylcarbamoyl]-2-(p-tolyl)vinyl]-3-methyl-benzamide N-[(E)-1-[2-(2H-indol-3-yl)ethyl…

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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)	5.38	12.19	-39.21	3	5	1	72	438.551	7	↓ MOL2 SDF SMILES Flexibase

63270466

Analogs

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Popular Name: N'-[2-[2-(2H-indol-3-yl)ethylcarbamoyl]phenyl]-N-[2-(isopropylamino)-2-oxo-ethyl]oxamide N'-[2-[2-(2H-indol-3-yl)ethylcar…

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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)	1.46	3.83	-45.71	5	9	1	130	450.519	9	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	1.65	2.5	-45.2	5	9	1	134	450.519	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.65	3.18	-74.99	4	9	0	137	449.511	9	↓ MOL2 SDF SMILES Flexibase

63270507

Analogs

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Popular Name: N-[2-(5-methoxy-2H-indol-3-yl)ethyl]-2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chr N-[2-(5-methoxy-2H-indol-3-yl)et…

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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)	4.77	9.99	-48.38	2	8	1	101	505.591	7	↓ MOL2 SDF SMILES Flexibase

63729899

Analogs

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Popular Name: 1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-4-(2H-indol-3-yl)butan-1-one 1-[(3S,5R)-3,5-dimethyl-1-piperi…

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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	9.49	-33.68	1	3	1	34	299.438	4	↓ MOL2 SDF SMILES Flexibase

63729902

Analogs

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Popular Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-4-(2H-indol-3-yl)butan-1-one 1-[(3R,5R)-3,5-dimethyl-1-piperi…

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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	9.73	-33.48	1	3	1	34	299.438	4	↓ MOL2 SDF SMILES Flexibase

63737273

Analogs

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Popular Name: N-[3-[(2S)-5-chloro-2H-indol-2-yl]phenyl]thiophene-2-carboxamide N-[3-[(2S)-5-chloro-2H-indol-2-y…

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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)	4.79	9.11	-31.34	2	3	1	43	353.854	3	↓ MOL2 SDF SMILES Flexibase

63737518

Analogs

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Popular Name: N-[4-[[3-[(2R)-2H-indol-2-yl]phenyl]sulfamoyl]phenyl]propanamide N-[4-[[3-[(2R)-2H-indol-2-yl]phe…

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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)	4.17	7.29	-41.1	3	6	1	89	420.514	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.17	7.3	-54.3	2	6	0	91	419.506	6	↓ MOL2 SDF SMILES Flexibase

63737560

Analogs

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Popular Name: N-[3-[(2S)-5-chloro-2H-indol-2-yl]phenyl]benzenesulfonamide N-[3-[(2S)-5-chloro-2H-indol-2-y…

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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)	4.76	7.96	-42.4	2	4	1	60	383.88	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.76	8.08	-51.28	1	4	0	62	382.872	4	↓ MOL2 SDF SMILES Flexibase

63737595

Analogs

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Popular Name: N-[3-[(2S)-5-fluoro-2H-indol-2-yl]phenyl]-4-methyl-benzenesulfonamide N-[3-[(2S)-5-fluoro-2H-indol-2-y…

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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)	4.70	8.2	-42.59	2	4	1	60	381.452	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.70	8.32	-52.02	1	4	0	62	380.444	4	↓ MOL2 SDF SMILES Flexibase

63737780

Analogs

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Popular Name: 2-[1-[(2S)-2H-indole-2-carbonyl]-4-piperidyl]-N-(p-tolylmethyl)acetamide 2-[1-[(2S)-2H-indole-2-carbonyl]…

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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)	3.31	9.27	-39.69	2	5	1	63	390.507	5	↓ MOL2 SDF SMILES Flexibase

63738478

Analogs

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Popular Name: (2R)-2-[1-[(2S)-6-methoxy-2H-indole-2-carbonyl]-4-piperidyl]-1-(4-methyl-1-piperidyl)propan-1-one (2R)-2-[1-[(2S)-6-methoxy-2H-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)	3.18	8.96	-36.83	1	6	1	64	412.554	4	↓ MOL2 SDF SMILES Flexibase

63739447

Analogs

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Popular Name: (2R)-2-[1-[(2S)-5-chloro-2H-indole-2-carbonyl]-4-piperidyl]-N-[(1S)-1-methylpropyl]propanamide (2R)-2-[1-[(2S)-5-chloro-2H-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)	3.61	8.35	-41.8	2	5	1	63	390.935	5	↓ MOL2 SDF SMILES Flexibase

63743029

Analogs

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Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-N-[2-(2H-indol-3-yl)ethyl]acetamide 2-(1,3-dioxo-2,4-diazaspiro[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)	2.57	5.41	-40.27	3	7	1	92	369.445	5	↓ MOL2 SDF SMILES Flexibase

63743233

Analogs

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Popular Name: (2R)-N-[2-[1-(4-methylbenzoyl)-4-piperidyl]ethyl]-2H-indole-2-carboxamide (2R)-N-[2-[1-(4-methylbenzoyl)-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)	3.15	9.16	-42.29	2	5	1	63	390.507	5	↓ MOL2 SDF SMILES Flexibase

63743238

Analogs

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Popular Name: 2-[(2R)-2-(4-chlorophenyl)sulfanyl-2H-indol-3-yl]-1-pyrrolidin-1-yl-ethanone 2-[(2R)-2-(4-chlorophenyl)sulfan…

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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)	4.59	11.04	-29.68	1	3	1	34	371.913	4	↓ MOL2 SDF SMILES Flexibase

63743307

Analogs

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Popular Name: 2-[(2S)-2-(2-fluorophenyl)sulfanyl-2H-indol-3-yl]-1-pyrrolidin-1-yl-ethanone 2-[(2S)-2-(2-fluorophenyl)sulfan…

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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	10.31	-29.96	1	3	1	34	355.458	4	↓ MOL2 SDF SMILES Flexibase

63743389

Analogs

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Popular Name: 2-[(2S)-2-(3-fluorophenyl)sulfanyl-2H-indol-3-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-[(2S)-2-(3-fluorophenyl)sulfan…

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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)	3.78	8.23	-30.1	2	4	1	52	385.484	6	↓ MOL2 SDF SMILES Flexibase

63743978

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-3-[4-[(2S)-5-fluoro-2H-indol-2-yl]phenyl]urea 1-(2,4-difluorophenyl)-3-[4-[(2S…

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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)	4.97	9.1	-36.95	3	4	1	55	382.365	3	↓ MOL2 SDF SMILES Flexibase

63746060

Analogs

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Popular Name: [(1S,9aS)-2,3,4,9a-tetrahydro-1H-carbazol-1-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone [(1S,9aS)-2,3,4,9a-tetrahydro-1H…

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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)	3.87	10.3	-30.39	1	3	1	34	331.439	1	↓ MOL2 SDF SMILES Flexibase

63746292

Analogs

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Popular Name: (2S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-7-(p-tolylcarbamoylamino)-2H-indole-2-carboxamide (2S)-N-(3-methoxypropyl)-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)	4.81	8.97	-36.63	4	7	1	93	471.581	8	↓ MOL2 SDF SMILES Flexibase

63752521

Analogs

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Popular Name: (2S)-3-[(4-chlorobenzoyl)amino]-N-(2-cyclohexen-1-ylethyl)-5-methyl-2H-indole-2-carboxamide (2S)-3-[(4-chlorobenzoyl)amino]-…

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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)	5.24	10.13	-36.15	3	5	1	72	436.963	6	↓ MOL2 SDF SMILES Flexibase

63752543

Analogs

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Popular Name: (2R)-3-[(4-chlorobenzoyl)amino]-N-cyclopentyl-5-methyl-2H-indole-2-carboxamide (2R)-3-[(4-chlorobenzoyl)amino]-…

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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	8.3	-38.42	3	5	1	72	396.898	4	↓ MOL2 SDF SMILES Flexibase

63752545

Analogs

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Popular Name: (2S)-3-[(4-chlorobenzoyl)amino]-N-isobutyl-5-methyl-2H-indole-2-carboxamide (2S)-3-[(4-chlorobenzoyl)amino]-…

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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	7.64	-34.58	3	5	1	72	384.887	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	3.87	6.55	-13.35	2	5	0	71	383.879	4	↓ MOL2 SDF SMILES Flexibase

63752994

Analogs

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Popular Name: (2R)-N-(2-cyclohexen-1-ylethyl)-3-[(3-methylbenzoyl)amino]-2H-indole-2-carboxamide (2R)-N-(2-cyclohexen-1-ylethyl)-…

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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	9.64	-34.06	3	5	1	72	402.518	6	↓ MOL2 SDF SMILES Flexibase

63755433

Analogs

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Popular Name: 2-chloro-6-fluoro-N-[2-[[(2S)-2-methyl-2H-indol-3-yl]sulfanyl]ethyl]benzamide 2-chloro-6-fluoro-N-[2-[[(2S)-2-…

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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	7.92	-32.54	2	3	1	43	363.865	5	↓ MOL2 SDF SMILES Flexibase

63755588

Analogs

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Popular Name: 2-[[(2S)-2-methyl-2H-indol-3-yl]sulfanyl]-1-[(3R)-3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl] 2-[[(2S)-2-methyl-2H-indol-3-yl]…

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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)	5.62	13.07	-27.1	1	4	1	47	446.621	5	↓ MOL2 SDF SMILES Flexibase

63757997

Analogs

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Popular Name: N-acetyl-dl-tryptophan N-acetyl-dl-tryptophan

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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)	-0.95	4.6	-56.1	2	5	0	83	246.266	4	↓ MOL2 SDF SMILES Flexibase

63761259

Analogs

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Popular Name: methyl(propyl)BLAH methyl(propyl)BLAH

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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)	4.62	7.87	-21.73	1	2	1	17	301.479	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.62	9.95	-93.58	2	2	2	18	302.487	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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