ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

6728439

Analogs

4123721

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methoxyphenyl)-methyl-BLAHcarboxylic (3-methoxyphenyl)-methyl-BLAHcar…

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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)	3.20	-0.58	-60.71	1	4	-1	61	334.395	3	↓ MOL2 SDF SMILES Flexibase

20130652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3ar,4s,9bs)-4-phenyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinolin-8-amine (3ar,4s,9bs)-4-phenyl-3a,4,5,9b-…

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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)	3.23	7.39	-4.86	3	2	0	38	262.356	1	↓ MOL2 SDF SMILES Flexibase

20130654

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3ar,4s,9bs)-4-phenyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinolin-8-amine (3ar,4s,9bs)-4-phenyl-3a,4,5,9b-…

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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)	3.23	6.93	-5.92	3	2	0	38	262.356	1	↓ MOL2 SDF SMILES Flexibase

20130656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3ar,4s,9bs)-4-phenyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinolin-8-amine (3ar,4s,9bs)-4-phenyl-3a,4,5,9b-…

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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)	3.23	7.6	-4.86	3	2	0	38	262.356	1	↓ MOL2 SDF SMILES Flexibase

20130740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,9bS)-4-(2,6-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid (3aR,4S,9bS)-4-(2,6-dichlorophen…

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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)	5.33	7.87	-60.07	1	3	-1	52	359.232	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.33	6.76	-11.26	2	3	0	49	360.24	2	↓ MOL2 SDF SMILES Flexibase

20240895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(3aR,4R,9bS)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylideneamino]-2-[( N-[1-[(3aR,4R,9bS)-4-phenyl-3a,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)	6.32	15.44	-18.04	2	4	0	53	502.083	7	↓ MOL2 SDF SMILES Flexibase

20240900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(3aS,4R,9bS)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylideneamino]-2-[( N-[1-[(3aS,4R,9bS)-4-phenyl-3a,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)	6.32	14.72	-19.66	2	4	0	53	502.083	7	↓ MOL2 SDF SMILES Flexibase

20241197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(3aR,4R,9bS)-4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylidenea N-[1-[(3aR,4R,9bS)-4-(2-chloroph…

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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	10.95	-23.73	2	5	0	77	404.901	4	↓ MOL2 SDF SMILES Flexibase

20241201

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(3aS,4R,9bS)-4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylidenea N-[1-[(3aS,4R,9bS)-4-(2-chloroph…

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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	9.82	-23.42	2	5	0	77	404.901	4	↓ MOL2 SDF SMILES Flexibase

20242394

Analogs

4234933

Draw Identity 99% 90% 80% 70%

Popular Name: 6,9-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid 6,9-dichloro-3a,4,5,9b-tetrahydr…

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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)	2.30	6.59	-43.04	1	3	-1	52	283.134	1	↓ MOL2 SDF SMILES Flexibase

20242398

Analogs

4234933

Draw Identity 99% 90% 80% 70%

Popular Name: 6,9-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid 6,9-dichloro-3a,4,5,9b-tetrahydr…

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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)	2.30	6.59	-42.24	1	3	-1	52	283.134	1	↓ MOL2 SDF SMILES Flexibase

12404100

Analogs

12404101
12404102
12404103
12138191
12138192

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate ethyl 8-fluoro-3a,4,5,9b-tetrahy…

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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	1.3	-5.44	1	3	0	38	261.296	3	↓ MOL2 SDF SMILES Flexibase

12404101

Analogs

12404102
12404103
12138191
12138192
12138193

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate ethyl 8-fluoro-3a,4,5,9b-tetrahy…

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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	1.22	-8.36	1	3	0	38	261.296	3	↓ MOL2 SDF SMILES Flexibase

12404102

Analogs

12404103
12138191
12138192
12138193

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate ethyl 8-fluoro-3a,4,5,9b-tetrahy…

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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	1.3	-4.59	1	3	0	38	261.296	3	↓ MOL2 SDF SMILES Flexibase

12404103

Analogs

12138191
12138192
12138193

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate ethyl 8-fluoro-3a,4,5,9b-tetrahy…

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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	0.92	-8.7	1	3	0	38	261.296	3	↓ MOL2 SDF SMILES Flexibase

12404104

Analogs

12404105
12404106
12404107
12138195
12138196

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-4-carboxylic acid, 7-chloro-3a,4,5,9b-tetrahydro-6-methyl-, ethyl ester 3H-cyclopenta[c]quinoline-4-carb…

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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)	3.59	0.87	-6.13	1	3	0	38	291.778	3	↓ MOL2 SDF SMILES Flexibase

12404105

Analogs

12404106
12404107
12138195
12138196
12138197

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-4-carboxylic acid, 7-chloro-3a,4,5,9b-tetrahydro-6-methyl-, ethyl ester 3H-cyclopenta[c]quinoline-4-carb…

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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)	3.59	0.66	-6.01	1	3	0	38	291.778	3	↓ MOL2 SDF SMILES Flexibase

12404106

Analogs

12404107
12138195
12138196
12138197

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 7-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate ethyl 7-chloro-6-methyl-3a,4,5,9…

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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)	3.59	0.81	-5.25	1	3	0	38	291.778	3	↓ MOL2 SDF SMILES Flexibase

12404107

Analogs

12138195
12138196
12138197

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 7-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate ethyl 7-chloro-6-methyl-3a,4,5,9…

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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)	3.59	0.26	-6.44	1	3	0	38	291.778	3	↓ MOL2 SDF SMILES Flexibase

12404108

Analogs

12404109
12404110
12404111
12138202
12138203

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-4-carboxylic acid, 3a,4,5,9b-tetrahydro-6-nitro-, ethyl ester 3H-cyclopenta[c]quinoline-4-carb…

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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)	3.40	1.43	-11.7	1	6	0	84	288.303	4	↓ MOL2 SDF SMILES Flexibase

12404109

Analogs

12404110
12404111
12138202
12138203
12138204

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-4-carboxylic acid, 3a,4,5,9b-tetrahydro-6-nitro-, ethyl ester 3H-cyclopenta[c]quinoline-4-carb…

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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)	3.40	1.34	-11.7	1	6	0	84	288.303	4	↓ MOL2 SDF SMILES Flexibase

12404110

Analogs

12404111
12138202
12138203
12138204

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate ethyl 6-nitro-3a,4,5,9b-tetrahyd…

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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)	3.40	1.32	-9.65	1	6	0	84	288.303	4	↓ MOL2 SDF SMILES Flexibase

12404111

Analogs

12138202
12138203
12138204

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate ethyl 6-nitro-3a,4,5,9b-tetrahyd…

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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)	3.40	1.09	-12.52	1	6	0	84	288.303	4	↓ MOL2 SDF SMILES Flexibase

12404112

Analogs

4003811
4140588

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate ethyl 8-nitro-3a,4,5,9b-tetrahyd…

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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)	3.43	1.07	-7.64	1	6	0	84	288.303	4	↓ MOL2 SDF SMILES Flexibase

12404567

Analogs

12404568
4234927

Draw Identity 99% 90% 80% 70%

Popular Name: 8-ethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid 8-ethyl-3a,4,5,9b-tetrahydro-3H-…

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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)	1.93	6.87	-45.84	1	3	-1	52	242.298	2	↓ MOL2 SDF SMILES Flexibase

12404568

Analogs

4234927

Draw Identity 99% 90% 80% 70%

Popular Name: 8-ethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid 8-ethyl-3a,4,5,9b-tetrahydro-3H-…

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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)	1.93	7.21	-46.6	1	3	-1	52	242.298	2	↓ MOL2 SDF SMILES Flexibase

12404727

Analogs

16424952
16424954
20059009
36081457
36081458

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,9bS)-4-(4-carboxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid (3aR,9bS)-4-(4-carboxyphenyl)-3a…

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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	-0.82	-103.63	1	5	-2	92	333.343	3	↓ MOL2 SDF SMILES Flexibase

12404728

Analogs

16424952
16424954
20059009
36081457
36081458

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,9bS)-4-(4-carboxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid (3aR,9bS)-4-(4-carboxyphenyl)-3a…

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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	-1.21	-124.44	1	5	-2	92	333.343	3	↓ MOL2 SDF SMILES Flexibase

22698179

Analogs

39973201

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3aR,4R,9bS)-8-[(2-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]be 4-[(3aR,4R,9bS)-8-[(2-methoxyphe…

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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)	4.84	8.17	-67.77	2	7	-1	108	475.546	6	↓ MOL2 SDF SMILES Flexibase

22698182

Analogs

39973201

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3aS,4R,9bS)-8-[(2-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]be 4-[(3aS,4R,9bS)-8-[(2-methoxyphe…

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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)	4.84	8.06	-66.22	2	7	-1	108	475.546	6	↓ MOL2 SDF SMILES Flexibase

22698185

Analogs

39973201

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3aS,4S,9bS)-8-[(2-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]be 4-[(3aS,4S,9bS)-8-[(2-methoxyphe…

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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)	4.84	8.72	-56.89	2	7	-1	108	475.546	6	↓ MOL2 SDF SMILES Flexibase

13403556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3aR,4S,9bR)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-3-acetoxy-phenyl] [4-[(3aR,4S,9bR)-8-nitro-3a,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)	3.15	12.22	-16.94	1	8	0	110	408.41	6	↓ MOL2 SDF SMILES Flexibase

13403565

Analogs

662162
5726375

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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)	3.74	13.67	-15.46	1	7	0	91	435.476	8	↓ MOL2 SDF SMILES Flexibase

13403570

Analogs

378207

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3aR,4S,9bR)-8-acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]phenyl] [4-[(3aR,4S,9bR)-8-acetyl-3a,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)	3.61	10.87	-15.55	1	4	0	55	347.414	4	↓ MOL2 SDF SMILES Flexibase

13403575

Analogs

378207

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3aR,4S,9bS)-8-acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]phenyl] [4-[(3aR,4S,9bS)-8-acetyl-3a,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)	3.61	10.73	-14.94	1	4	0	55	347.414	4	↓ MOL2 SDF SMILES Flexibase

13403581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3aR,4S,9bR)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-5-acetoxy-phenyl] [2-[(3aR,4S,9bR)-8-methyl-3a,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)	3.64	12.18	-12.14	1	5	0	65	377.44	5	↓ MOL2 SDF SMILES Flexibase

13403585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3aR,4S,9bS)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-5-acetoxy-phenyl] [2-[(3aR,4S,9bS)-8-methyl-3a,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)	3.64	11.58	-11.82	1	5	0	65	377.44	5	↓ MOL2 SDF SMILES Flexibase

13424800

Analogs

2381319
4245152

Draw Identity 99% 90% 80% 70%

Popular Name: MFCD01593520 MFCD01593520

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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)	0.91	6.72	-48.55	1	3	-1	52	242.298	1	↓ MOL2 SDF SMILES Flexibase

13424801

Analogs

2381319
4245152

Draw Identity 99% 90% 80% 70%

Popular Name: MFCD01593520 MFCD01593520

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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)	0.91	6.92	-50.31	1	3	-1	52	242.298	1	↓ MOL2 SDF SMILES Flexibase

13424802

Analogs

2381319
4245152

Draw Identity 99% 90% 80% 70%

Popular Name: MFCD01593520 MFCD01593520

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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)	0.91	6.7	-49.09	1	3	-1	52	242.298	1	↓ MOL2 SDF SMILES Flexibase

13425205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4R,9bR)-4-(3-bromo-4,5-dimethoxy-phenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin (3aR,4R,9bR)-4-(3-bromo-4,5-dime…

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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)	4.23	10.31	-6.09	1	3	0	30	400.316	3	↓ MOL2 SDF SMILES Flexibase

13425206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,9bR)-4-(3-bromo-4,5-dimethoxy-phenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin (3aR,4S,9bR)-4-(3-bromo-4,5-dime…

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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)	4.23	9.72	-6.41	1	3	0	30	400.316	3	↓ MOL2 SDF SMILES Flexibase

13425222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,9bR)-6-fluoro-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (3aR,4S,9bR)-6-fluoro-4-(4-morph…

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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)	3.46	6.52	-11.48	1	5	0	59	414.502	3	↓ MOL2 SDF SMILES Flexibase

13425350

Analogs

33932952
33932954

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,9bS)-6-chloro-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (3aS,4S,9bS)-6-chloro-4-(4-morph…

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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	7.86	-10.37	1	5	0	59	430.957	3	↓ MOL2 SDF SMILES Flexibase

13425351

Analogs

33932952
33932954

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,9bR)-6-chloro-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (3aR,4S,9bR)-6-chloro-4-(4-morph…

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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	7.25	-10.66	1	5	0	59	430.957	3	↓ MOL2 SDF SMILES Flexibase

13425352

Analogs

33932952
33932954

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,9bS)-6-chloro-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (3aR,4S,9bS)-6-chloro-4-(4-morph…

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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	6.4	-11.06	1	5	0	59	430.957	3	↓ MOL2 SDF SMILES Flexibase

13425357

Analogs

33932958
33932960
4172165

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,9bS)-9-chloro-6-methyl-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]q (3aS,4S,9bS)-9-chloro-6-methyl-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)	3.44	8.34	-10.4	1	5	0	59	444.984	3	↓ MOL2 SDF SMILES Flexibase

13425358

Analogs

33932958
33932960
4172165

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,9bR)-9-chloro-6-methyl-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]q (3aR,4S,9bR)-9-chloro-6-methyl-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)	3.44	7.55	-12.6	1	5	0	59	444.984	3	↓ MOL2 SDF SMILES Flexibase

13425403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,9bS)-8-isopropyl-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoli (3aR,4S,9bS)-8-isopropyl-4-(4-mo…

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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	8.03	-10.41	1	5	0	59	438.593	4	↓ MOL2 SDF SMILES Flexibase

13425404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,9bS)-8-isopropyl-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoli (3aS,4S,9bS)-8-isopropyl-4-(4-mo…

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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	9.29	-9.82	1	5	0	59	438.593	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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