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)	1.17	4.53	-12.41	1	4	0	49	242.278	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.17	5.89	-50.1	2	4	1	54	243.286	1	↓ MOL2 SDF SMILES Flexibase

69053270

Analogs

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Popular Name: (1R,5S)-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-(1,2,3,4-tetrahydroqui…

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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)	1.99	5.8	-12.91	1	4	0	49	242.278	1	↓ MOL2 SDF SMILES Flexibase

62823957

Analogs

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Popular Name: 2-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]-5-nitro-benzoic 2-[(1R,5S)-2,4-dioxo-3-azabicycl…

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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)	1.62	7.47	-54.49	0	8	-1	123	275.196	3	↓ MOL2 SDF SMILES Flexibase

62823966

Analogs

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Popular Name: 2-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]-4-nitro-benzoic 2-[(1R,5S)-2,4-dioxo-3-azabicycl…

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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)	1.62	7.49	-49.04	0	8	-1	123	275.196	3	↓ MOL2 SDF SMILES Flexibase

62824230

Analogs

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Popular Name: 2-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]-5-iodo-benzoic 2-[(1R,5S)-2,4-dioxo-3-azabicycl…

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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)	2.75	7.87	-55.81	0	5	-1	78	356.095	2	↓ MOL2 SDF SMILES Flexibase

62825329

Analogs

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Popular Name: 3,5-dibromo-2-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]benzoic 3,5-dibromo-2-[(1R,5S)-2,4-dioxo…

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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)	3.21	8.4	-51.76	0	5	-1	78	387.991	2	↓ MOL2 SDF SMILES Flexibase

62825906

Analogs

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Popular Name: 2-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]-3,5-dimethyl-benzoic 2-[(1R,5S)-2,4-dioxo-3-azabicycl…

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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)	2.49	8.49	-62.32	0	5	-1	78	258.253	2	↓ MOL2 SDF SMILES Flexibase

62826778

Analogs

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Popular Name: 3-bromo-2-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]benzoic 3-bromo-2-[(1R,5S)-2,4-dioxo-3-a…

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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	7.88	-58.53	0	5	-1	78	309.095	2	↓ MOL2 SDF SMILES Flexibase

62831614

Analogs

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Popular Name: 5-amino-2-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]benzoic 5-amino-2-[(1R,5S)-2,4-dioxo-3-a…

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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)	0.74	4.65	-61.24	2	6	-1	104	245.214	2	↓ MOL2 SDF SMILES Flexibase

62831902

Analogs

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Popular Name: 4-amino-2-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]benzoic 4-amino-2-[(1R,5S)-2,4-dioxo-3-a…

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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)	0.74	4.66	-62.65	2	6	-1	104	245.214	2	↓ MOL2 SDF SMILES Flexibase

62833253

Analogs

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Popular Name: 3-amino-4-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]benzoic 3-amino-4-[(1R,5S)-2,4-dioxo-3-a…

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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)	0.97	4.76	-57.97	2	6	-1	104	245.214	2	↓ MOL2 SDF SMILES Flexibase

62838723

Analogs

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Popular Name: (1R,5S)-3-[(2S)-2-amino-2-phenyl-ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-[(2S)-2-amino-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)	-0.94	4.8	-38.79	3	4	1	65	231.275	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.94	4.45	-8.3	2	4	0	63	230.267	3	↓ MOL2 SDF SMILES Flexibase

62838724

Analogs

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Popular Name: (1R,5S)-3-[(2R)-2-amino-2-phenyl-ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-[(2R)-2-amino-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)	-0.94	4.78	-38.85	3	4	1	65	231.275	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.94	4.38	-8.03	2	4	0	63	230.267	3	↓ MOL2 SDF SMILES Flexibase

62947272

Analogs

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Popular Name: 5-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic 5-[(1R,5S)-2,4-dioxo-3-azabicycl…

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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)	0.13	4.58	-54.56	0	6	-1	90	231.187	2	↓ MOL2 SDF SMILES Flexibase

63002056

Analogs

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Popular Name: (1R,5S)-3-[(1S)-2-hydroxy-1-phenyl-ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-[(1S)-2-hydroxy-1-phen…

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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	5.45	-11.06	1	4	0	58	231.251	3	↓ MOL2 SDF SMILES Flexibase

63002057

Analogs

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Popular Name: (1R,5S)-3-[(1R)-2-hydroxy-1-phenyl-ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-[(1R)-2-hydroxy-1-phen…

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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	5.47	-10.92	1	4	0	58	231.251	3	↓ MOL2 SDF SMILES Flexibase

63009616

Analogs

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Popular Name: 4-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluoro-benzoic 4-[(1R,5S)-2,4-dioxo-3-azabicycl…

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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)	1.65	6.53	-53.52	0	5	-1	78	248.189	2	↓ MOL2 SDF SMILES Flexibase

63020961

Analogs

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Popular Name: (1R,5S)-3-(2-amino-1,1-dimethyl-ethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-(2-amino-1,1-dimethyl-…

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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)	-0.44	1.82	-43.75	3	4	1	65	183.231	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.44	2.1	-6.83	2	4	0	63	182.223	2	↓ MOL2 SDF SMILES Flexibase

69680798

Analogs

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Popular Name: (1R,5S)-3-(1,1-dimethylprop-2-ynyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-(1,1-dimethylprop-2-yn…

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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)	0.92	4.9	-9.28	0	3	0	37	177.203	1	↓ MOL2 SDF SMILES Flexibase

69684173

Analogs

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Popular Name: (1R,5S)-3-[(3R)-azepan-3-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-[(3R)-azepan-3-yl]-3-a…

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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)	0.28	3.8	-39.4	2	4	1	54	209.269	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.28	2.42	-8.55	1	4	0	49	208.261	1	↓ MOL2 SDF SMILES Flexibase

69684174

Analogs

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Popular Name: (1R,5S)-3-[(3S)-azepan-3-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-[(3S)-azepan-3-yl]-3-a…

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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)	0.28	4.08	-40.25	2	4	1	54	209.269	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.28	2.79	-7.94	1	4	0	49	208.261	1	↓ MOL2 SDF SMILES Flexibase

69731964

Analogs

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Popular Name: 5-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]pentanoic 5-[(1R,5S)-2,4-dioxo-3-azabicycl…

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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)	0.24	5.57	-52.07	0	5	-1	78	210.209	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.24	3.59	-12.21	1	5	0	75	211.217	5	↓ MOL2 SDF SMILES Flexibase

69838109

Analogs

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Popular Name: (4S)-4-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]pentanoic (4S)-4-[(1R,5S)-2,4-dioxo-3-azab…

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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)	0.07	5.68	-52.39	0	5	-1	78	210.209	4	↓ MOL2 SDF SMILES Flexibase

69838110

Analogs

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Popular Name: (4R)-4-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]pentanoic (4R)-4-[(1R,5S)-2,4-dioxo-3-azab…

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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)	0.07	5.68	-53.1	0	5	-1	78	210.209	4	↓ MOL2 SDF SMILES Flexibase

66139884

Analogs

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Popular Name: N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carbox N-[3-chloro-4-[(1S,5R)-6,6-dimet…

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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)	2.54	7.9	-16.78	1	6	0	79	369.808	3	↓ MOL2 SDF SMILES Flexibase

40349633

Analogs

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Popular Name: 2-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]thioacetamide 2-[(1R,5S)-2,4-dioxo-3-azabicycl…

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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)	-1.14	2.35	-15.05	2	4	0	63	184.22	2	↓ MOL2 SDF SMILES Flexibase

40768914

Analogs

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Popular Name: (1R,5S)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-[[4-(1H-pyrazol-5-yl)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)	1.40	6.37	-10.84	1	5	0	66	267.288	3	↓ MOL2 SDF SMILES Flexibase

49363729

Analogs

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Popular Name: (1R,5S)-3-[2-(hydroxymethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-[2-(hydroxymethyl)phen…

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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)	0.94	3.64	-13.64	1	4	0	58	217.224	2	↓ MOL2 SDF SMILES Flexibase

37714403

Analogs

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Popular Name: 2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]acetonitrile 2-[(1S,5R)-2,4-dioxo-3-azabicycl…

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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)	-0.27	3.08	-12.13	0	4	0	61	150.137	1	↓ MOL2 SDF SMILES Flexibase

37716762

Analogs

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Popular Name: 3-[[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]benzoic 3-[[(1R,5S)-2,4-dioxo-3-azabicyc…

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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)	1.24	6.93	-58.39	0	5	-1	78	244.226	3	↓ MOL2 SDF SMILES Flexibase

49525438

Analogs

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Popular Name: (1R,5S)-3-[(1S)-1-(4-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-[(1S)-1-(4-bromophenyl…

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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	7.83	-8.86	0	3	0	37	294.148	2	↓ MOL2 SDF SMILES Flexibase

49525439

Analogs

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Popular Name: (1R,5S)-3-[(1R)-1-(4-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-[(1R)-1-(4-bromophenyl…

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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	7.8	-8.82	0	3	0	37	294.148	2	↓ MOL2 SDF SMILES Flexibase

37921463

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Popular Name: (1R,5S)-3-(4H-1,2,4-triazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-(4H-1,2,4-triazol-3-yl…

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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)	-1.09	3.45	-11.77	1	6	0	79	192.178	2	↓ MOL2 SDF SMILES Flexibase

49550801

Analogs

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Popular Name: (1R,5S)-3-[2-[(1S)-1-hydroxyethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-[2-[(1S)-1-hydroxyethy…

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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)	1.16	4.23	-13.42	1	4	0	58	231.251	2	↓ MOL2 SDF SMILES Flexibase

49550803

Analogs

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Popular Name: (1R,5S)-3-[2-[(1R)-1-hydroxyethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-[2-[(1R)-1-hydroxyethy…

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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)	1.16	4.24	-13.39	1	4	0	58	231.251	2	↓ MOL2 SDF SMILES Flexibase

49572076

Analogs

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Popular Name: (1R,5S)-3-[(1S)-1-(3-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-[(1S)-1-(3-bromophenyl…

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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)	2.69	7.84	-8.93	0	3	0	37	294.148	2	↓ MOL2 SDF SMILES Flexibase

49572077

Analogs

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Popular Name: (1R,5S)-3-[(1R)-1-(3-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-[(1R)-1-(3-bromophenyl…

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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)	2.69	7.79	-9.54	0	3	0	37	294.148	2	↓ MOL2 SDF SMILES Flexibase

49572090

Analogs

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Popular Name: (1R,5S)-3-(5-bromo-2-methoxy-phenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-(5-bromo-2-methoxy-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)	2.44	5.89	-13.41	0	4	0	47	296.12	2	↓ MOL2 SDF SMILES Flexibase

42011844

Analogs

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Popular Name: (1R,5S)-3-prop-2-ynyl-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-prop-2-ynyl-3-azabicyc…

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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)	0.11	3.88	-10.24	0	3	0	37	149.149	1	↓ MOL2 SDF SMILES Flexibase

42011935

Analogs

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Popular Name: (1R,5S)-3-(3-ethynylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (1R,5S)-3-(3-ethynylphenyl)-3-az…

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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)	1.39	7	-13.4	0	3	0	37	211.22	1	↓ MOL2 SDF SMILES Flexibase

42431766

Analogs

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Popular Name: 5-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxy-benzoic 5-[(1R,5S)-2,4-dioxo-3-azabicycl…

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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	4.41	-61.67	1	6	-1	98	246.198	2	↓ MOL2 SDF SMILES Flexibase

42431771

Analogs

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Popular Name: 2-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]-5-hydroxy-benzoic 2-[(1R,5S)-2,4-dioxo-3-azabicycl…

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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)	1.19	3.92	-59.77	1	6	-1	98	246.198	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 30292
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 30292 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=30292&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "30292"        

    });
</script>

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