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)	0.66	7.33	-38.34	3	2	1	33	219.352	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.66	7.01	-3.77	2	2	0	31	218.344	3	↓ MOL2 SDF SMILES Flexibase

69669904

Analogs

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Popular Name: (4S)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-4,5,6,7-tetrahydroindol-4-amine (4S)-1-[(1R)-2-cyclopropyl-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)	0.66	7.38	-38.29	3	2	1	33	219.352	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.66	7.06	-3.75	2	2	0	31	218.344	3	↓ MOL2 SDF SMILES Flexibase

69669909

Analogs

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Popular Name: (4R)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4,5,6,7-tetrahydroindol-4-amine (4R)-1-[(1S)-2-cyclopropyl-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)	0.66	7.31	-38.25	3	2	1	33	219.352	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.66	7	-3.42	2	2	0	31	218.344	3	↓ MOL2 SDF SMILES Flexibase

69669913

Analogs

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Popular Name: (4R)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-4,5,6,7-tetrahydroindol-4-amine (4R)-1-[(1R)-2-cyclopropyl-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)	0.66	7.36	-38.25	3	2	1	33	219.352	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.66	7.04	-3.42	2	2	0	31	218.344	3	↓ MOL2 SDF SMILES Flexibase

70104446

Analogs

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Popular Name: (4S)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (4S)-1-[(1S)-2-cyclopropyl-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)	3.25	7.65	-4.28	1	2	0	25	247.382	3	↓ MOL2 SDF SMILES Flexibase

70104447

Analogs

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Popular Name: (4S)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (4S)-1-[(1R)-2-cyclopropyl-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)	3.25	7.69	-4.28	1	2	0	25	247.382	3	↓ MOL2 SDF SMILES Flexibase

70104448

Analogs

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Popular Name: (4R)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (4R)-1-[(1S)-2-cyclopropyl-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)	3.25	7.64	-4.42	1	2	0	25	247.382	3	↓ MOL2 SDF SMILES Flexibase

70104449

Analogs

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Popular Name: (4R)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (4R)-1-[(1R)-2-cyclopropyl-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)	3.25	7.68	-4.2	1	2	0	25	247.382	3	↓ MOL2 SDF SMILES Flexibase

70104450

Analogs

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Popular Name: (4S)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(1S)-2-cyclopropyl-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)	2.58	6.96	-6.62	1	2	0	25	233.355	3	↓ MOL2 SDF SMILES Flexibase

70104451

Analogs

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Popular Name: (4S)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(1R)-2-cyclopropyl-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)	2.58	7	-6.5	1	2	0	25	233.355	3	↓ MOL2 SDF SMILES Flexibase

70104452

Analogs

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Popular Name: (4R)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(1S)-2-cyclopropyl-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)	2.58	6.91	-6.56	1	2	0	25	233.355	3	↓ MOL2 SDF SMILES Flexibase

70104453

Analogs

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Popular Name: (4R)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(1R)-2-cyclopropyl-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)	2.58	6.94	-6.48	1	2	0	25	233.355	3	↓ MOL2 SDF SMILES Flexibase

70104454

Analogs

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Popular Name: (4S)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (4S)-1-[(1S)-2-cyclopropyl-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)	3.47	7.89	-4.74	1	2	0	25	261.409	3	↓ MOL2 SDF SMILES Flexibase

70104455

Analogs

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Popular Name: (4S)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (4S)-1-[(1R)-2-cyclopropyl-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)	3.47	7.94	-4.62	1	2	0	25	261.409	3	↓ MOL2 SDF SMILES Flexibase

70104456

Analogs

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Popular Name: (4R)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (4R)-1-[(1S)-2-cyclopropyl-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)	3.47	7.85	-4.6	1	2	0	25	261.409	3	↓ MOL2 SDF SMILES Flexibase

70104457

Analogs

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Popular Name: (4R)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (4R)-1-[(1R)-2-cyclopropyl-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)	3.47	7.88	-4.63	1	2	0	25	261.409	3	↓ MOL2 SDF SMILES Flexibase

70104458

Analogs

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Popular Name: (4S)-1-[(1S)-1-(cyclopropylmethyl)propyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (4S)-1-[(1S)-1-(cyclopropylmethy…

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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)	3.75	8.8	-4.07	1	2	0	25	261.409	4	↓ MOL2 SDF SMILES Flexibase

70104459

Analogs

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Popular Name: (4S)-1-[(1R)-1-(cyclopropylmethyl)propyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (4S)-1-[(1R)-1-(cyclopropylmethy…

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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)	3.75	8.62	-4.05	1	2	0	25	261.409	4	↓ MOL2 SDF SMILES Flexibase

70104460

Analogs

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Popular Name: (4R)-1-[(1S)-1-(cyclopropylmethyl)propyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (4R)-1-[(1S)-1-(cyclopropylmethy…

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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)	3.75	8.79	-4.23	1	2	0	25	261.409	4	↓ MOL2 SDF SMILES Flexibase

70104461

Analogs

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Popular Name: (4R)-1-[(1R)-1-(cyclopropylmethyl)propyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (4R)-1-[(1R)-1-(cyclopropylmethy…

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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)	3.75	8.61	-4.08	1	2	0	25	261.409	4	↓ MOL2 SDF SMILES Flexibase

70104462

Analogs

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Popular Name: (4S)-1-[(1S)-1-(cyclopropylmethyl)propyl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(1S)-1-(cyclopropylmethy…

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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)	3.08	7.78	-6.3	1	2	0	25	247.382	4	↓ MOL2 SDF SMILES Flexibase

70104463

Analogs

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Popular Name: (4S)-1-[(1R)-1-(cyclopropylmethyl)propyl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(1R)-1-(cyclopropylmethy…

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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)	3.08	7.88	-6.29	1	2	0	25	247.382	4	↓ MOL2 SDF SMILES Flexibase

70104464

Analogs

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Popular Name: (4R)-1-[(1S)-1-(cyclopropylmethyl)propyl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(1S)-1-(cyclopropylmethy…

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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)	3.08	7.81	-6.39	1	2	0	25	247.382	4	↓ MOL2 SDF SMILES Flexibase

70104465

Analogs

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Popular Name: (4R)-1-[(1R)-1-(cyclopropylmethyl)propyl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(1R)-1-(cyclopropylmethy…

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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)	3.08	7.86	-6.3	1	2	0	25	247.382	4	↓ MOL2 SDF SMILES Flexibase

70104466

Analogs

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Popular Name: (4S)-1-[(1S)-1-(cyclopropylmethyl)propyl]-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(1S)-1-(cyclopropylmethy…

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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)	2.86	7.9	-5.94	1	2	0	25	233.355	4	↓ MOL2 SDF SMILES Flexibase

70104467

Analogs

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Popular Name: (4S)-1-[(1R)-1-(cyclopropylmethyl)propyl]-4,5,6,7-tetrahydroindol-4-ol (4S)-1-[(1R)-1-(cyclopropylmethy…

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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)	2.86	7.71	-5.8	1	2	0	25	233.355	4	↓ MOL2 SDF SMILES Flexibase

70104468

Analogs

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Popular Name: (4R)-1-[(1S)-1-(cyclopropylmethyl)propyl]-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(1S)-1-(cyclopropylmethy…

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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)	2.86	7.88	-6.04	1	2	0	25	233.355	4	↓ MOL2 SDF SMILES Flexibase

70104469

Analogs

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Popular Name: (4R)-1-[(1R)-1-(cyclopropylmethyl)propyl]-4,5,6,7-tetrahydroindol-4-ol (4R)-1-[(1R)-1-(cyclopropylmethy…

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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)	2.86	7.71	-5.87	1	2	0	25	233.355	4	↓ MOL2 SDF SMILES Flexibase

70104470

Analogs

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Popular Name: (4S)-1-[(1S)-1-(cyclopropylmethyl)propyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (4S)-1-[(1S)-1-(cyclopropylmethy…

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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)	3.97	8.7	-4.31	1	2	0	25	275.436	4	↓ MOL2 SDF SMILES Flexibase

70104471

Analogs

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Popular Name: (4S)-1-[(1R)-1-(cyclopropylmethyl)propyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (4S)-1-[(1R)-1-(cyclopropylmethy…

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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)	3.97	8.81	-4.42	1	2	0	25	275.436	4	↓ MOL2 SDF SMILES Flexibase

70104472

Analogs

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Popular Name: (4R)-1-[(1S)-1-(cyclopropylmethyl)propyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (4R)-1-[(1S)-1-(cyclopropylmethy…

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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)	3.97	8.73	-4.45	1	2	0	25	275.436	4	↓ MOL2 SDF SMILES Flexibase

70104473

Analogs

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Popular Name: (4R)-1-[(1R)-1-(cyclopropylmethyl)propyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (4R)-1-[(1R)-1-(cyclopropylmethy…

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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)	3.97	8.78	-4.39	1	2	0	25	275.436	4	↓ MOL2 SDF SMILES Flexibase

70104482

Analogs

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Popular Name: (4S)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (4S)-1-[(1S)-2-cyclopropyl-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)	1.77	8.42	-38.64	3	2	1	33	261.433	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.77	8.11	-2.78	2	2	0	31	260.425	3	↓ MOL2 SDF SMILES Flexibase

70104483

Analogs

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Popular Name: (4S)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (4S)-1-[(1R)-2-cyclopropyl-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)	1.77	8.46	-38.64	3	2	1	33	261.433	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.77	8.16	-2.7	2	2	0	31	260.425	3	↓ MOL2 SDF SMILES Flexibase

70104484

Analogs

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Popular Name: (4R)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (4R)-1-[(1S)-2-cyclopropyl-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)	1.77	8.37	-38.78	3	2	1	33	261.433	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.77	8.06	-3.7	2	2	0	31	260.425	3	↓ MOL2 SDF SMILES Flexibase

70104485

Analogs

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Popular Name: (4R)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (4R)-1-[(1R)-2-cyclopropyl-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)	1.77	8.4	-38.7	3	2	1	33	261.433	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.77	8.09	-3.74	2	2	0	31	260.425	3	↓ MOL2 SDF SMILES Flexibase

70104486

Analogs

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Popular Name: (4S)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (4S)-1-[(1S)-2-cyclopropyl-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)	1.55	8.19	-38.76	3	2	1	33	247.406	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.55	7.86	-2.55	2	2	0	31	246.398	3	↓ MOL2 SDF SMILES Flexibase

70104487

Analogs

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Popular Name: (4S)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (4S)-1-[(1R)-2-cyclopropyl-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)	1.55	8.23	-38.67	3	2	1	33	247.406	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.55	7.91	-2.42	2	2	0	31	246.398	3	↓ MOL2 SDF SMILES Flexibase

70104488

Analogs

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Popular Name: (4R)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (4R)-1-[(1S)-2-cyclopropyl-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)	1.55	8.17	-38.68	3	2	1	33	247.406	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.55	7.86	-3.47	2	2	0	31	246.398	3	↓ MOL2 SDF SMILES Flexibase

70104489

Analogs

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Popular Name: (4R)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (4R)-1-[(1R)-2-cyclopropyl-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)	1.55	8.22	-38.67	3	2	1	33	247.406	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.55	7.91	-3.32	2	2	0	31	246.398	3	↓ MOL2 SDF SMILES Flexibase

70104490

Analogs

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Popular Name: (4S)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (4S)-1-[(1S)-2-cyclopropyl-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)	0.88	7.55	-38.36	3	2	1	33	233.379	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.88	7.24	-4.19	2	2	0	31	232.371	3	↓ MOL2 SDF SMILES Flexibase

70104491

Analogs

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Popular Name: (4S)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (4S)-1-[(1R)-2-cyclopropyl-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)	0.88	7.6	-38.33	3	2	1	33	233.379	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.88	7.29	-4.07	2	2	0	31	232.371	3	↓ MOL2 SDF SMILES Flexibase

70104492

Analogs

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Popular Name: (4R)-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (4R)-1-[(1S)-2-cyclopropyl-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)	0.88	7.5	-38.43	3	2	1	33	233.379	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.88	7.18	-3.86	2	2	0	31	232.371	3	↓ MOL2 SDF SMILES Flexibase

70104493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (4R)-1-[(1R)-2-cyclopropyl-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)	0.88	7.53	-38.39	3	2	1	33	233.379	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.88	7.21	-3.73	2	2	0	31	232.371	3	↓ MOL2 SDF SMILES Flexibase

70104494

Analogs

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Popular Name: (4S)-1-[(1S)-1-(cyclopropylmethyl)propyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (4S)-1-[(1S)-1-(cyclopropylmethy…

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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)	2.27	9.24	-37.93	3	2	1	33	275.46	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.27	8.92	-2.44	2	2	0	31	274.452	4	↓ MOL2 SDF SMILES Flexibase

70104495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(1R)-1-(cyclopropylmethyl)propyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (4S)-1-[(1R)-1-(cyclopropylmethy…

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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)	2.27	9.35	-38.36	3	2	1	33	275.46	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.27	9.02	-2.5	2	2	0	31	274.452	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 389315
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 = 389315 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "389315"        

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