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)	4.15	11.1	-48.75	1	6	-1	72	351.459	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.42	-2.14	-11.98	2	6	0	74	352.467	4	↓ MOL2 SDF SMILES Flexibase

8837699

Analogs

5353130
5353137

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Popular Name: N-[(2-chloro-6-fluoro-phenyl)methyleneamino]-6,7-diazabicyclo[3.3.0]octa-5,8-diene-8-carboxamide N-[(2-chloro-6-fluoro-phenyl)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)	3.12	6.01	-14.02	2	5	0	70	306.728	3	↓ MOL2 SDF SMILES Flexibase

20119634

Analogs

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Popular Name: N-(2-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-2-[5-(1-phenylcyclopentyl)tetrazol-2-yl]acetam N-(2-methyl-5,6-dihydro-4H-cyclo…

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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)	2.51	9.08	-23.15	1	8	0	91	391.479	5	↓ MOL2 SDF SMILES Flexibase

71589627

Analogs

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Popular Name: 3-(cyclopentylsulfamoyl)-5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)benzoic 3-(cyclopentylsulfamoyl)-5-(5,6-…

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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)	3.05	7.17	-51.21	1	7	-1	104	374.442	5	↓ MOL2 SDF SMILES Flexibase

71790913

Analogs

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Popular Name: 2,2,2-trifluoroethyl N-{2-phenyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}carbamate 2,2,2-trifluoroethyl N-{2-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)	3.30	8.29	-9.03	1	5	0	56	325.29	5	↓ MOL2 SDF SMILES Flexibase

22698099

Analogs

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Popular Name: 3-(2,2-dimethylpropanoylamino)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)benzamide 3-(2,2-dimethylpropanoylamino)-N…

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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)	4.19	11.38	-26.56	2	6	0	76	402.498	5	↓ MOL2 SDF SMILES Flexibase

23367368

Analogs

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Popular Name: N-(2-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-2-[3-(1-methylpyrrol-3-yl)pyrazol-1-yl]acetami N-(2-methyl-5,6-dihydro-4H-cyclo…

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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)	1.00	8.31	-25.36	1	7	0	70	324.388	4	↓ MOL2 SDF SMILES Flexibase

23367815

Analogs

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Popular Name: [3-(5-methylisoxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-(2,4,5,6-tetrahydrocyclope [3-(5-methylisoxazol-3-yl)-1,4,6…

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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)	0.90	4.82	-15.26	2	8	0	104	338.371	2	↓ MOL2 SDF SMILES Flexibase

23368295

Analogs

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Popular Name: 6-[1-(2,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4-piperidyl]-3H-pyrimidin-4-one 6-[1-(2,4,5,6-tetrahydrocyclopen…

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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)	0.63	5.17	-19.89	2	7	0	95	313.361	2	↓ MOL2 SDF SMILES Flexibase

56664000

Analogs

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Popular Name: 4-[(Z)-3-pyridylmethyleneamino]-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazole-3-thi 4-[(Z)-3-pyridylmethyleneamino]-…

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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)	1.40	6.23	-48.6	1	7	-1	85	310.366	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.68	5.82	-16.3	2	7	0	88	311.374	3	↓ MOL2 SDF SMILES Flexibase

56665191

Analogs

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Popular Name: 4-[(Z)-2-pyridylmethyleneamino]-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazole-3-thi 4-[(Z)-2-pyridylmethyleneamino]-…

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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)	1.47	7.7	-57.67	1	7	-1	85	310.366	3	↓ MOL2 SDF SMILES Flexibase

56669078

Analogs

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Popular Name: 4-[(Z)-(4-fluorophenyl)methyleneamino]-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazol 4-[(Z)-(4-fluorophenyl)methylene…

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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)	2.80	7.63	-53.54	1	6	-1	72	327.368	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.08	7.76	-13.81	2	6	0	75	328.376	3	↓ MOL2 SDF SMILES Flexibase

56677540

Analogs

15986226

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Popular Name: 4-[(Z)-[(Z)-3-(2-furyl)prop-2-enylidene]amino]-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4 4-[(Z)-[(Z)-3-(2-furyl)prop-2-en…

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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)	2.48	8.59	-54.01	1	7	-1	85	325.377	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.75	7.94	-13.6	2	7	0	88	326.385	4	↓ MOL2 SDF SMILES Flexibase

56683463

Analogs

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Popular Name: 2-[(Z)-[3-sulfanyl-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazol-4-yl]iminomethyl]ph 2-[(Z)-[3-sulfanyl-5-(2,4,5,6-te…

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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	5	-50.55	2	7	-1	92	325.377	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.58	5.66	-109.49	1	7	-2	95	324.369	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.85	4.85	-14.47	3	7	0	95	326.385	3	↓ MOL2 SDF SMILES Flexibase

56686722

Analogs

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Popular Name: 4-[(Z)-benzylideneamino]-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazole-3-thiol 4-[(Z)-benzylideneamino]-5-(2,4,…

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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)	2.64	7.56	-54.75	1	6	-1	72	309.378	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.91	7.69	-13.14	2	6	0	75	310.386	3	↓ MOL2 SDF SMILES Flexibase

56687496

Analogs

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Popular Name: 4-[(Z)-m-tolylmethyleneamino]-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazole-3-thiol 4-[(Z)-m-tolylmethyleneamino]-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)	3.06	8.23	-54.63	1	6	-1	72	323.405	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.34	8.36	-12.85	2	6	0	75	324.413	3	↓ MOL2 SDF SMILES Flexibase

56688071

Analogs

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Popular Name: 4-[(Z)-(3-methoxyphenyl)methyleneamino]-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazo 4-[(Z)-(3-methoxyphenyl)methylen…

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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)	2.67	6.86	-60.19	1	7	-1	81	339.404	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.95	6.99	-15.37	2	7	0	84	340.412	4	↓ MOL2 SDF SMILES Flexibase

56696491

Analogs

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Popular Name: 4-[(Z)-(3-chlorophenyl)methyleneamino]-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazol 4-[(Z)-(3-chlorophenyl)methylene…

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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)	3.29	8.08	-49.53	1	6	-1	72	343.823	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.57	8.21	-12.07	2	6	0	75	344.831	3	↓ MOL2 SDF SMILES Flexibase

57980545

Analogs

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Popular Name: 1-[(4-cyanobenzoyl)amino]-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea 1-[(4-cyanobenzoyl)amino]-3-(2-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)	2.50	9.41	-18.54	3	8	0	112	386.415	4	↓ MOL2 SDF SMILES Flexibase

57981376

Analogs

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Popular Name: 1-[3-(cyclopentoxy)propyl]-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea 1-[3-(cyclopentoxy)propyl]-3-(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)	3.60	9.96	-12.2	2	6	0	68	368.481	7	↓ MOL2 SDF SMILES Flexibase

57982653

Analogs

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Popular Name: (3R)-N3-ethyl-N1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide (3R)-N3-ethyl-N1-(2-phenyl-5,6-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)	2.45	9.47	-14.59	2	7	0	79	381.48	4	↓ MOL2 SDF SMILES Flexibase

57982657

Analogs

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Popular Name: (3S)-N3-ethyl-N1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide (3S)-N3-ethyl-N1-(2-phenyl-5,6-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)	2.45	9.49	-14.59	2	7	0	79	381.48	4	↓ MOL2 SDF SMILES Flexibase

57983527

Analogs

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Popular Name: 1-[1-(2-dimethylaminoethyl)pyrazol-4-yl]-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea 1-[1-(2-dimethylaminoethyl)pyraz…

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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)	2.06	9.93	-51.84	3	8	1	81	380.476	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.06	7.45	-15.62	2	8	0	80	379.468	6	↓ MOL2 SDF SMILES Flexibase

57985181

Analogs

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Popular Name: 1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-y 1-(2-phenyl-5,6-dihydro-4H-cyclo…

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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)	3.02	7.51	-13.22	2	6	0	62	393.413	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.02	9.94	-54.71	3	6	1	63	394.421	5	↓ MOL2 SDF SMILES Flexibase

57985186

Analogs

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Popular Name: 1-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-y 1-(2-phenyl-5,6-dihydro-4H-cyclo…

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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)	3.02	7.51	-14.08	2	6	0	62	393.413	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.02	9.94	-55.23	3	6	1	63	394.421	5	↓ MOL2 SDF SMILES Flexibase

57986842

Analogs

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Popular Name: 4-(2,2-difluoroethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperazine-1-carboxamide 4-(2,2-difluoroethyl)-N-(2-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)	2.66	9.16	-13.63	1	6	0	53	375.423	4	↓ MOL2 SDF SMILES Flexibase

57987276

Analogs

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Popular Name: 1-[1-(2,2-difluoroethyl)-4-piperidyl]-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea 1-[1-(2,2-difluoroethyl)-4-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)	2.94	10.51	-49.87	3	6	1	63	390.458	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.94	8.45	-14.65	2	6	0	62	389.45	5	↓ MOL2 SDF SMILES Flexibase

57987805

Analogs

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Popular Name: 4-cyclopropyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,4-diazepane-1-carboxamide 4-cyclopropyl-N-(2-phenyl-5,6-di…

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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)	2.72	13.01	-45.45	2	6	1	55	366.489	3	↓ MOL2 SDF SMILES Flexibase

58004804

Analogs

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Popular Name: 2-cyclopropyl-1,3-dioxo-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)isoindoline-5-carboxami 2-cyclopropyl-1,3-dioxo-N-(2-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)	3.26	11.55	-16.38	1	7	0	86	412.449	4	↓ MOL2 SDF SMILES Flexibase

58341227

Analogs

38510736

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Popular Name: N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-propoxy-benzamide N-(2-phenyl-5,6-dihydro-4H-cyclo…

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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)	4.24	11.71	-13.87	1	5	0	56	361.445	6	↓ MOL2 SDF SMILES Flexibase

58343689

Analogs

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Popular Name: 2-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrimidine-4-carboxamide 2-methyl-N-(2-phenyl-5,6-dihydro…

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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)	1.73	8.71	-11.48	1	6	0	73	319.368	3	↓ MOL2 SDF SMILES Flexibase

58534376

Analogs

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Popular Name: (5R)-5-(1-methylpyrazol-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic (5R)-5-(1-methylpyrazol-4-yl)-1,…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HCAR2-2-E	HM74 Nicotinic Acid GPCR (cluster #2 Of 4), Eukaryotic	Eukaryotes	1600	0.48	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
HCAR2_MOUSE	Q9EP66	HM74 Nicotinic Acid GPCR, Mouse	1600	0.48	Binding ≤ 10μM
HCAR2_HUMAN	Q8TDS4	Nicotinic Acid Receptor 1, Human	2100	0.47	Binding ≤ 10μM

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)	0.49	4.7	-49.41	1	6	-1	87	231.235	2	↓ MOL2 SDF SMILES Flexibase

58534812

Analogs

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Popular Name: (5S)-5-(2,3,5-trifluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic (5S)-5-(2,3,5-trifluorophenyl)-1…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HCAR2-2-E	HM74 Nicotinic Acid GPCR (cluster #2 Of 4), Eukaryotic	Eukaryotes	30	0.53	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
HCAR2_MOUSE	Q9EP66	HM74 Nicotinic Acid GPCR, Mouse	30	0.53	Binding ≤ 1μM
HCAR2_HUMAN	Q8TDS4	Nicotinic Acid Receptor 1, Human	20	0.54	Binding ≤ 1μM
HCAR2_MOUSE	Q9EP66	HM74 Nicotinic Acid GPCR, Mouse	30	0.53	Binding ≤ 10μM
HCAR2_HUMAN	Q8TDS4	Nicotinic Acid Receptor 1, Human	20	0.54	Binding ≤ 10μM

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)	2.46	7.05	-43.74	1	4	-1	69	281.213	2	↓ MOL2 SDF SMILES Flexibase

58534848

Analogs

38218675

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-[(1R)-1-methylpropyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic (5R)-5-[(1R)-1-methylpropyl]-1,4…

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HCAR2-2-E	HM74 Nicotinic Acid GPCR (cluster #2 Of 4), Eukaryotic	Eukaryotes	1100	0.56	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
HCAR2_MOUSE	Q9EP66	HM74 Nicotinic Acid GPCR, Mouse	1100	0.56	Binding ≤ 10μM
HCAR2_HUMAN	Q8TDS4	Nicotinic Acid Receptor 1, Human	1300	0.55	Binding ≤ 10μM

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)	2.51	5.93	-44.94	1	4	-1	69	207.253	3	↓ MOL2 SDF SMILES Flexibase

58537989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-isopropyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic (5S)-5-isopropyl-1,4,5,6-tetrahy…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HCAR2-2-E	HM74 Nicotinic Acid GPCR (cluster #2 Of 4), Eukaryotic	Eukaryotes	990	0.60	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
HCAR2_MOUSE	Q9EP66	HM74 Nicotinic Acid GPCR, Mouse	990	0.60	Binding ≤ 1μM
HCAR2_MOUSE	Q9EP66	HM74 Nicotinic Acid GPCR, Mouse	990	0.60	Binding ≤ 10μM
HCAR2_HUMAN	Q8TDS4	Nicotinic Acid Receptor 1, Human	1700	0.58	Binding ≤ 10μM

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)	2.77	5.3	-45.08	1	4	-1	69	193.226	2	↓ MOL2 SDF SMILES Flexibase

58538130

Analogs

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Popular Name: (5R)-5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic (5R)-5-pyrazol-1-yl-1,4,5,6-tetr…

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HCAR2-2-E	HM74 Nicotinic Acid GPCR (cluster #2 Of 4), Eukaryotic	Eukaryotes	3400	0.48	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
HCAR2_MOUSE	Q9EP66	HM74 Nicotinic Acid GPCR, Mouse	3400	0.48	Binding ≤ 10μM
HCAR2_HUMAN	Q8TDS4	Nicotinic Acid Receptor 1, Human	1900	0.50	Binding ≤ 10μM

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)	0.58	4.12	-45.95	1	6	-1	87	217.208	2	↓ MOL2 SDF SMILES Flexibase

59817222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile 2-(4-chlorophenyl)-5,6-dihydro-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)	2.99	8.13	-5.98	0	3	0	42	243.697	1	↓ MOL2 SDF SMILES Flexibase

59817244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-(4-chloro-2-fluoro-phenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole 3-bromo-2-(4-chloro-2-fluoro-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)	4.23	8.62	-7.61	0	2	0	18	315.573	1	↓ MOL2 SDF SMILES Flexibase

59817255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-2-fluoro-phenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile 2-(4-chloro-2-fluoro-phenyl)-5,6…

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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)	3.29	8.37	-7.17	0	3	0	42	261.687	1	↓ MOL2 SDF SMILES Flexibase

59817258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole 3-bromo-2-(4-chlorophenyl)-5,6-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)	3.93	8.43	-5.72	0	2	0	18	297.583	1	↓ MOL2 SDF SMILES Flexibase

1785323

Analogs

9244308

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(Z)-(4-nitrobenzylidene)amino]-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazole-3-t 4-[(Z)-(4-nitrobenzylidene)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)	2.60	7.47	-54.72	1	9	-1	118	354.375	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.87	7.94	-19.12	2	9	0	120	355.383	4	↓ MOL2 SDF SMILES Flexibase

66250412

Analogs

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Popular Name: 4-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzenesulfonamide 4-methoxy-N-(2-phenyl-5,6-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)	3.27	7.79	-51.98	0	6	-1	75	368.438	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.27	7.63	-12.4	1	6	0	73	369.446	5	↓ MOL2 SDF SMILES Flexibase

66250442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrazole-4-sulfonamide 1-methyl-N-(2-phenyl-5,6-dihydro…

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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)	1.58	6.22	-51.56	0	7	-1	84	342.404	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.58	6	-14.76	1	7	0	82	343.412	4	↓ MOL2 SDF SMILES Flexibase

64755307

Analogs

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Popular Name: N-(2-furylmethyl)-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-ac N-(2-furylmethyl)-2-[6-(3-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)	2.25	7.88	-13.2	1	7	0	86	369.45	6	↓ MOL2 SDF SMILES Flexibase

64755310

Analogs

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Popular Name: 2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(2-thienylmethyl)a 2-[6-(3-methyl-5,6-dihydro-4H-cy…

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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)	2.90	8.87	-12.29	1	6	0	73	385.518	6	↓ MOL2 SDF SMILES Flexibase

64755426

Analogs

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Popular Name: 2-[6-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c] 2-[6-[(2-chloro-6-fluoro-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)	4.83	11.85	-10.98	0	4	0	44	374.872	4	↓ MOL2 SDF SMILES Flexibase

64755428

Analogs

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Popular Name: 2-[6-[(2,4-dimethylphenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazo 2-[6-[(2,4-dimethylphenyl)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)	4.91	12.59	-9.28	0	4	0	44	350.491	4	↓ MOL2 SDF SMILES Flexibase

64755430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-[(2,5-dimethylphenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazo 2-[6-[(2,5-dimethylphenyl)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)	4.91	12.59	-9.22	0	4	0	44	350.491	4	↓ MOL2 SDF SMILES Flexibase

64755434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c] 2-[6-[(2-chloro-4-fluoro-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)	4.86	11.89	-9.84	0	4	0	44	374.872	4	↓ MOL2 SDF SMILES Flexibase

64755437

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-2-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c 3-methyl-2-[6-[[3-(trifluorometh…

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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)	4.96	12.41	-10.36	0	4	0	44	390.434	5	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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