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ZINC Item

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49513463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[(1S)-1,2-dimethylprop 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.14	12.44	-13.81	3	9	0	109	366.495	9	↓ MOL2 SDF SMILES Flexibase

49513468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[(1R)-1,2-dimethylprop 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.14	12.13	-13.63	3	9	0	109	366.495	9	↓ MOL2 SDF SMILES Flexibase

49513488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N,N-diethyl-acetamide 2-[[5,7-bis(ethylamino)-[1,2,4]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)	1.68	13.2	-13.66	2	9	0	100	352.468	9	↓ MOL2 SDF SMILES Flexibase

49513493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-butyl-acetamide 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.12	11.67	-14.01	3	9	0	109	352.468	10	↓ MOL2 SDF SMILES Flexibase

49513497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-isopentyl-acetamide 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.34	12.18	-13.95	3	9	0	109	366.495	10	↓ MOL2 SDF SMILES Flexibase

49513509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-isobutyl-acetamide 2-[[5,7-bis(ethylamino)-[1,2,4]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)	1.81	11.64	-13.83	3	9	0	109	352.468	9	↓ MOL2 SDF SMILES Flexibase

49513521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-propyl-acetamide 2-[[5,7-bis(ethylamino)-[1,2,4]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)	1.56	10.9	-14.08	3	9	0	109	338.441	9	↓ MOL2 SDF SMILES Flexibase

49513529

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-[(2S)-2-methyl-1-piper 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.17	13.98	-12.87	2	9	0	100	378.506	7	↓ MOL2 SDF SMILES Flexibase

49513533

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-[(2R)-2-methyl-1-piper 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.17	13.94	-12.81	2	9	0	100	378.506	7	↓ MOL2 SDF SMILES Flexibase

49513537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclo 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.83	14.07	-13.29	3	9	0	109	392.533	8	↓ MOL2 SDF SMILES Flexibase

49513541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclo 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.83	13.68	-13.7	3	9	0	109	392.533	8	↓ MOL2 SDF SMILES Flexibase

49513545

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[(1R,2R)-2-methylcyclo 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.83	13.68	-13.71	3	9	0	109	392.533	8	↓ MOL2 SDF SMILES Flexibase

49513549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[(1S,2R)-2-methylcyclo 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.83	14.07	-13.28	3	9	0	109	392.533	8	↓ MOL2 SDF SMILES Flexibase

49513553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-cyclopentyl-acetamide 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.09	12.3	-13.87	3	9	0	109	364.479	8	↓ MOL2 SDF SMILES Flexibase

49513572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azepan-1-yl)-2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]ethanone 1-(azepan-1-yl)-2-[[5,7-bis(ethy…

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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)	2.34	14.3	-13.33	2	9	0	100	378.506	7	↓ MOL2 SDF SMILES Flexibase

49513588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl) 2-[[5,7-bis(ethylamino)-[1,2,4]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)	1.61	10.59	-14.21	3	9	0	109	378.384	9	↓ MOL2 SDF SMILES Flexibase

49513603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-tert-butyl-acetamide 2-[[5,7-bis(ethylamino)-[1,2,4]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)	1.87	11.44	-13.62	3	9	0	109	352.468	8	↓ MOL2 SDF SMILES Flexibase

49513619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-(2-thienylmethyl)aceta 2-[[5,7-bis(ethylamino)-[1,2,4]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)	1.98	12.26	-14.15	3	9	0	109	392.514	9	↓ MOL2 SDF SMILES Flexibase

49513626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-(4-methylcyclohexyl)ac 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.36	13.84	-13.45	3	9	0	109	392.533	8	↓ MOL2 SDF SMILES Flexibase

49513629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-[(3S,5R)-3,5-dimethyl- 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.56	14.51	-13.11	2	9	0	100	392.533	7	↓ MOL2 SDF SMILES Flexibase

49513632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-[(3S,5S)-3,5-dimethyl- 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.56	14.75	-13.22	2	9	0	100	392.533	7	↓ MOL2 SDF SMILES Flexibase

49513635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-[(3R,5R)-3,5-dimethyl- 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.56	14.75	-13.02	2	9	0	100	392.533	7	↓ MOL2 SDF SMILES Flexibase

49513651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-(2-furylmethyl)acetami 2-[[5,7-bis(ethylamino)-[1,2,4]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)	1.34	11.27	-15.06	3	10	0	122	376.446	9	↓ MOL2 SDF SMILES Flexibase

49513666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-indolin-1-yl-ethanone 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.62	15.04	-13.67	2	9	0	100	398.496	7	↓ MOL2 SDF SMILES Flexibase

49513720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-cyclohexyl-N-methyl-ac 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.84	14.66	-13.7	2	9	0	100	392.533	8	↓ MOL2 SDF SMILES Flexibase

49513723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-[(3S)-3-methyl-1-piper 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.08	13.92	-13.4	2	9	0	100	378.506	7	↓ MOL2 SDF SMILES Flexibase

49513726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-[(3R)-3-methyl-1-piper 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.08	13.93	-13.4	2	9	0	100	378.506	7	↓ MOL2 SDF SMILES Flexibase

49513729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl) 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.08	13.92	-13.42	2	9	0	100	378.506	7	↓ MOL2 SDF SMILES Flexibase

49513732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(1-piperidyl)ethanone 2-[[5,7-bis(ethylamino)-[1,2,4]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)	1.84	13.34	-13.47	2	9	0	100	364.479	7	↓ MOL2 SDF SMILES Flexibase

49513795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-[(2R)-2-ethyl-1-piperi 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.70	14.54	-12.82	2	9	0	100	392.533	8	↓ MOL2 SDF SMILES Flexibase

49513798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-[(2S)-2-ethyl-1-piperi 2-[[5,7-bis(ethylamino)-[1,2,4]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)	2.70	14.56	-12.75	2	9	0	100	392.533	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 146246
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 146246 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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