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)	4.74	9.04	-28.56	2	4	0	66	399.918	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.74	9.83	-94.37	1	4	-1	69	398.91	1	↓ MOL2 SDF SMILES Flexibase

19999802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(4-fluoro-3-phenoxy-phenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione 9-(4-fluoro-3-phenoxy-phenyl)-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)	5.16	12.47	-34.6	1	4	0	55	403.453	3	↓ MOL2 SDF SMILES Flexibase

22711811

Analogs

19899434

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Popular Name: (3S,6R)-9-(4-methoxyphenyl)-3,6-diphenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (3S,6R)-9-(4-methoxyphenyl)-3,6-…

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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)	6.49	15.71	-29.22	1	4	0	55	475.588	4	↓ MOL2 SDF SMILES Flexibase

22711816

Analogs

19899434

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-9-(4-methoxyphenyl)-3,6-diphenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (3S,6S)-9-(4-methoxyphenyl)-3,6-…

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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)	6.49	15.72	-29.25	1	4	0	55	475.588	4	↓ MOL2 SDF SMILES Flexibase

22711820

Analogs

19899434

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-9-(4-methoxyphenyl)-3,6-diphenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (3R,6R)-9-(4-methoxyphenyl)-3,6-…

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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)	6.49	15.71	-29.34	1	4	0	55	475.588	4	↓ MOL2 SDF SMILES Flexibase

22716695

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-9-(4-chlorophenyl)-3,6-diphenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (3R,6S)-9-(4-chlorophenyl)-3,6-d…

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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)	7.12	16.92	-26.17	1	3	0	46	480.007	3	↓ MOL2 SDF SMILES Flexibase

22716699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-9-(4-chlorophenyl)-3,6-diphenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (3S,6S)-9-(4-chlorophenyl)-3,6-d…

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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)	7.12	16.92	-26.23	1	3	0	46	480.007	3	↓ MOL2 SDF SMILES Flexibase

22716703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-9-(4-chlorophenyl)-3,6-diphenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (3R,6R)-9-(4-chlorophenyl)-3,6-d…

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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)	7.12	16.91	-26.23	1	3	0	46	480.007	3	↓ MOL2 SDF SMILES Flexibase

2080353

Analogs

4535186
4535189

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[3-methoxy-4-(2-propynyloxy)phenyl]-3,3,6,6-tetramethyl-10-propyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione 9-[3-methoxy-4-(2-propynyloxy)ph…

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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)	5.55	5.24	-29.36	0	5	0	55	475.629	6	↓ MOL2 SDF SMILES Flexibase

2085183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[3-chloro-5-methoxy-4-(2-propynyloxy)phenyl]-3,3,6,6-tetramethyl-10-propyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione 9-[3-chloro-5-methoxy-4-(2-propy…

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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)	6.35	5.23	-23.9	0	5	0	55	510.074	6	↓ MOL2 SDF SMILES Flexibase

2797368

Analogs

8444147
672652
672648

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(3-methoxyphenyl)-10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-quin 9-(3-methoxyphenyl)-10-(4-methox…

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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)	6.65	14.37	-25.36	0	5	0	56	485.624	4	↓ MOL2 SDF SMILES Flexibase

2799400

Analogs

2859464
8398148
2307510
672655

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(3-ethoxy-4-propargyloxy-phenyl)-10-phenyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-quinone 9-(3-ethoxy-4-propargyloxy-pheny…

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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)	5.44	15.55	-26.09	0	5	0	56	467.565	6	↓ MOL2 SDF SMILES Flexibase

2799750

Analogs

2862178
8443585
13915593
2177804
684737

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(2-chloro-4-ethoxy-5-methoxy-phenyl)-10-(2-chlorophenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-qui 9-(2-chloro-4-ethoxy-5-methoxy-p…

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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)	6.04	14.97	-22	0	5	0	56	512.433	5	↓ MOL2 SDF SMILES Flexibase

2799916

Analogs

9680431
16577907
20568356
2177812
2279368

Draw Identity 99% 90% 80% 70%

Popular Name: 10-(4-bromophenyl)-9-(2-hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-quinon 10-(4-bromophenyl)-9-(2-hydroxyp…

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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)	6.84	13.74	-20.74	1	4	0	58	520.467	2	↓ MOL2 SDF SMILES Flexibase

16577884

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-chloro-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide 2-[2-chloro-4-(3,3,6,6,10-pentam…

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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	10.64	-29.51	2	6	0	90	470.997	4	↓ MOL2 SDF SMILES Flexibase

16577886

Analogs

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Popular Name: 9-[4-[(3-fluorophenyl)methoxy]phenyl]-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dion 9-[4-[(3-fluorophenyl)methoxy]ph…

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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)	6.66	16.05	-29.62	0	4	0	47	487.615	4	↓ MOL2 SDF SMILES Flexibase

16577889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[3-[(4-fluorophenyl)methoxy]phenyl]-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dion 9-[3-[(4-fluorophenyl)methoxy]ph…

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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)	6.66	16.05	-32.04	0	4	0	47	487.615	4	↓ MOL2 SDF SMILES Flexibase

16577892

Analogs

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Popular Name: 2-[9-(4-allyloxy-3-chloro-5-methoxy-phenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acri 2-[9-(4-allyloxy-3-chloro-5-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.29	15	-42.98	0	7	-1	96	527.037	7	↓ MOL2 SDF SMILES Flexibase

16577895

Analogs

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Popular Name: 3-[9-(3-chloro-4-hydroxy-phenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]p 3-[9-(3-chloro-4-hydroxy-phenyl)…

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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	10.78	-46.78	1	6	-1	98	470.973	4	↓ MOL2 SDF SMILES Flexibase

16577898

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(3-chloro-4-hydroxy-phenyl)-3,3,6,6-tetramethyl-10-phenethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-di 9-(3-chloro-4-hydroxy-phenyl)-3,…

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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)	7.06	14.76	-23.32	1	4	0	58	504.07	4	↓ MOL2 SDF SMILES Flexibase

16577901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(3-hydroxyphenyl)-3,3,6,6-tetramethyl-10-phenethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione 9-(3-hydroxyphenyl)-3,3,6,6-tetr…

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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)	6.17	14.23	-28.88	1	4	0	58	469.625	4	↓ MOL2 SDF SMILES Flexibase

16577904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-(3-methoxyphenyl)-3,3,6,6-tetramethyl-10-phenethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione 9-(3-methoxyphenyl)-3,3,6,6-tetr…

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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)	6.70	16.39	-30.63	0	4	0	47	483.652	5	↓ MOL2 SDF SMILES Flexibase

16577907

Analogs

2799916

Draw Identity 99% 90% 80% 70%

Popular Name: 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione 10-(4-bromophenyl)-3,3,6,6-tetra…

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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)	7.37	16.41	-20.44	0	3	0	37	504.468	2	↓ MOL2 SDF SMILES Flexibase

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ZINC 12

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