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

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

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

63934912

Analogs

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Popular Name: (2S)-3-(2H-indol-3-yl)-2-[[(2S)-2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]isochromen-1-yl)oxy]pr (2S)-3-(2H-indol-3-yl)-2-[[(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)	2.60	13.66	-63.74	2	8	0	123	488.54	7	↓ MOL2 SDF SMILES Flexibase

63941184

Analogs

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Popular Name: (3S)-N-[(2S,5S)-5-isobutyl-1,3,4-thiadiazolidin-2-yl]-1-[2-(5-methyl-2H-indol-3-yl)ethyl]-5-oxo-pyrr (3S)-N-[(2S,5S)-5-isobutyl-1,3,4…

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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)	3.03	5.84	-37.4	4	7	1	87	430.598	7	↓ MOL2 SDF SMILES Flexibase

63948128

Analogs

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Popular Name: (3R)-N-[(2S)-6-methyl-2,3-dihydro-1,3-benzothiazol-2-yl]-1-[2-(5-methyl-2H-indol-3-yl)ethyl]-5-oxo-p (3R)-N-[(2S)-6-methyl-2,3-dihydr…

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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)	3.63	8.35	-41.11	3	6	1	75	435.573	5	↓ MOL2 SDF SMILES Flexibase

63948132

Analogs

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Popular Name: (3R)-N-[(3S)-5-methyl-2,3-dihydroisoxazol-3-yl]-1-[2-(5-methyl-2H-indol-3-yl)ethyl]-5-oxo-pyrrolidin (3R)-N-[(3S)-5-methyl-2,3-dihydr…

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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)	2.29	5.02	-39.39	3	7	1	85	369.445	5	↓ MOL2 SDF SMILES Flexibase

63948425

Analogs

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Popular Name: (2S)-N-[2-[[(1S)-2-(2H-indol-3-yl)-1-methyl-ethyl]amino]-2-oxo-ethyl]-2-pyrrol-1-yl-2,3-dihydro-1,3- (2S)-N-[2-[[(1S)-2-(2H-indol-3-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)	3.53	8.73	-43.28	4	7	1	89	460.583	7	↓ MOL2 SDF SMILES Flexibase

63948429

Analogs

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Popular Name: (2S)-N-[2-[[(1R)-2-(2H-indol-3-yl)-1-methyl-ethyl]amino]-2-oxo-ethyl]-2-pyrrol-1-yl-2,3-dihydro-1,3- (2S)-N-[2-[[(1R)-2-(2H-indol-3-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)	3.53	8.57	-42.12	4	7	1	89	460.583	7	↓ MOL2 SDF SMILES Flexibase

63948712

Analogs

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Popular Name: 2-[(2S)-2-(4-isopropylphenyl)-2,3-dihydrothiazol-4-yl]-N-[2-(5-methoxy-2H-indol-3-yl)ethyl]acetamide 2-[(2S)-2-(4-isopropylphenyl)-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)	5.15	9.88	-37.86	3	5	1	64	436.601	7	↓ MOL2 SDF SMILES Flexibase

63952626

Analogs

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Popular Name: (2S)-2-acetamido-N-(4-bromo-2-methyl-phenyl)-3-(2H-indol-3-yl)propanamide (2S)-2-acetamido-N-(4-bromo-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)	3.25	7.98	-49.72	3	5	1	72	415.311	5	↓ MOL2 SDF SMILES Flexibase

64538167

Analogs

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Popular Name: (3S)-N-indan-5-yl-1-[2-(5-methyl-2H-indol-3-yl)ethyl]-5-oxo-pyrrolidine-3-carboxamide (3S)-N-indan-5-yl-1-[2-(5-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)	3.63	10.7	-38.93	2	5	1	63	402.518	5	↓ MOL2 SDF SMILES Flexibase

64538963

Analogs

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Popular Name: isopropyl isopropyl

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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)	3.71	9.92	-49.26	3	8	1	102	495.644	8	↓ MOL2 SDF SMILES Flexibase

64539539

Analogs

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Popular Name: (3S)-1-(4-chlorophenyl)-N-[2-(5-methyl-2H-indol-3-yl)ethyl]-2-oxo-pyrrolidine-3-carboxamide (3S)-1-(4-chlorophenyl)-N-[2-(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)	3.89	8.97	-37.18	2	5	1	63	396.898	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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