ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

1382862

Analogs

4091583
4531634
4531635
4531636

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromophenyl)[2-(2,4-dichlorophenyl)cyclopropyl]methanone (4-bromophenyl)[2-(2,4-dichlorop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.76	0.88	-5.06	0	1	0	17	370.073	3	↓ MOL2 SDF SMILES Flexibase

1382863

Analogs

4091583
4531634
4531635
4531636

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromophenyl)[2-(2,4-dichlorophenyl)cyclopropyl]methanone (4-bromophenyl)[2-(2,4-dichlorop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.76	0.93	-7.27	0	1	0	17	370.073	3	↓ MOL2 SDF SMILES Flexibase

1382864

Analogs

4091583
4531634
4531635
4531636

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromophenyl)[2-(2,4-dichlorophenyl)cyclopropyl]methanone (4-bromophenyl)[2-(2,4-dichlorop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.76	0.93	-7.13	0	1	0	17	370.073	3	↓ MOL2 SDF SMILES Flexibase

1382872

Analogs

2171710
2171713
2171715
2171717
4531625

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)[2-(2,4-dichlorophenyl)cyclopropyl]methanone (4-chlorophenyl)[2-(2,4-dichloro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.63	1.49	-5.07	0	1	0	17	325.622	3	↓ MOL2 SDF SMILES Flexibase

1382873

Analogs

2171710
2171713
2171715
2171717
4531625

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)[2-(2,4-dichlorophenyl)cyclopropyl]methanone (4-chlorophenyl)[2-(2,4-dichloro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.63	1.54	-7.33	0	1	0	17	325.622	3	↓ MOL2 SDF SMILES Flexibase

1382874

Analogs

2171710
2171713
2171715
2171717
4531625

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)[2-(2,4-dichlorophenyl)cyclopropyl]methanone (4-chlorophenyl)[2-(2,4-dichloro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.63	1.54	-7.16	0	1	0	17	325.622	3	↓ MOL2 SDF SMILES Flexibase

1382875

Analogs

2171710
2171713
2171715
2171717
4531625

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)[2-(2,4-dichlorophenyl)cyclopropyl]methanone (4-chlorophenyl)[2-(2,4-dichloro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.63	1.47	-4.44	0	1	0	17	325.622	3	↓ MOL2 SDF SMILES Flexibase

1382876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chlorophenyl)cyclopropyl](4-nitrophenyl)methanone [2-(4-chlorophenyl)cyclopropyl](…

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Activity (Go SEA)

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)	4.30	2.33	-10.43	0	4	0	62	301.729	4	↓ MOL2 SDF SMILES Flexibase

1382877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chlorophenyl)cyclopropyl](4-nitrophenyl)methanone [2-(4-chlorophenyl)cyclopropyl](…

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Activity (Go SEA)

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)	4.30	2.33	-9.03	0	4	0	62	301.729	4	↓ MOL2 SDF SMILES Flexibase

1382878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chlorophenyl)cyclopropyl](4-nitrophenyl)methanone [2-(4-chlorophenyl)cyclopropyl](…

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Activity (Go SEA)

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)	4.30	2.33	-8.93	0	4	0	62	301.729	4	↓ MOL2 SDF SMILES Flexibase

1382879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chlorophenyl)cyclopropyl](4-nitrophenyl)methanone [2-(4-chlorophenyl)cyclopropyl](…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.30	2.28	-10.06	0	4	0	62	301.729	4	↓ MOL2 SDF SMILES Flexibase

1382884

Analogs

16718834
16718837
16718840
16718844

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chlorophenyl)cyclopropyl](3-methoxyphenyl)methanone [2-(4-chlorophenyl)cyclopropyl](…

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Activity (Go SEA)

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)	4.38	1.78	-9.95	0	2	0	26	286.758	4	↓ MOL2 SDF SMILES Flexibase

1382885

Analogs

16718834
16718837
16718840
16718844

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chlorophenyl)cyclopropyl](3-methoxyphenyl)methanone [2-(4-chlorophenyl)cyclopropyl](…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.38	1.83	-9.17	0	2	0	26	286.758	4	↓ MOL2 SDF SMILES Flexibase

1382886

Analogs

16718834
16718837
16718840
16718844

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chlorophenyl)cyclopropyl](3-methoxyphenyl)methanone [2-(4-chlorophenyl)cyclopropyl](…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.38	1.83	-9.03	0	2	0	26	286.758	4	↓ MOL2 SDF SMILES Flexibase

1382887

Analogs

16718834
16718837
16718840
16718844

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chlorophenyl)cyclopropyl](3-methoxyphenyl)methanone [2-(4-chlorophenyl)cyclopropyl](…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.38	1.74	-10.68	0	2	0	26	286.758	4	↓ MOL2 SDF SMILES Flexibase

1382888

Analogs

4091618
4531604
4531605
4531610
4531611

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromophenyl)[2-(4-chlorophenyl)cyclopropyl]methanone (4-bromophenyl)[2-(4-chloropheny…

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Activity (Go SEA)

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)	5.15	1.05	-7	0	1	0	17	335.628	3	↓ MOL2 SDF SMILES Flexibase

1382889

Analogs

4091618
4531604
4531605
4531610
4531611

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromophenyl)[2-(4-chlorophenyl)cyclopropyl]methanone (4-bromophenyl)[2-(4-chloropheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.15	1.05	-5.86	0	1	0	17	335.628	3	↓ MOL2 SDF SMILES Flexibase

1382890

Analogs

4091618
4531604
4531605
4531610
4531611

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromophenyl)[2-(4-chlorophenyl)cyclopropyl]methanone (4-bromophenyl)[2-(4-chloropheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.15	1.05	-5.77	0	1	0	17	335.628	3	↓ MOL2 SDF SMILES Flexibase

16872853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[(1R,2S)-2-(p-tolyl)cyclopropyl]methanone (4-ethylphenyl)-[(1R,2S)-2-(p-to…

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Activity (Go SEA)

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)	5.03	12.08	-7.26	0	1	0	17	264.368	4	↓ MOL2 SDF SMILES Flexibase

16872854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[(1S,2S)-2-(p-tolyl)cyclopropyl]methanone (4-ethylphenyl)-[(1S,2S)-2-(p-to…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.03	12.16	-6.35	0	1	0	17	264.368	4	↓ MOL2 SDF SMILES Flexibase

16872855

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[(1R,2R)-2-(p-tolyl)cyclopropyl]methanone (4-ethylphenyl)-[(1R,2R)-2-(p-to…

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Activity (Go SEA)

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)	5.03	12.16	-6.41	0	1	0	17	264.368	4	↓ MOL2 SDF SMILES Flexibase

16872856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[(1S,2R)-2-(p-tolyl)cyclopropyl]methanone (4-ethylphenyl)-[(1S,2R)-2-(p-to…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.03	12.11	-6.86	0	1	0	17	264.368	4	↓ MOL2 SDF SMILES Flexibase

16872857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[(1R,2S)-2-(4-isopropylphenyl)cyclopropyl]methanone (4-ethylphenyl)-[(1R,2S)-2-(4-is…

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Activity (Go SEA)

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)	6.09	13.32	-7.26	0	1	0	17	292.422	5	↓ MOL2 SDF SMILES Flexibase

16872858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[(1S,2S)-2-(4-isopropylphenyl)cyclopropyl]methanone (4-ethylphenyl)-[(1S,2S)-2-(4-is…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	6.09	13.41	-6.06	0	1	0	17	292.422	5	↓ MOL2 SDF SMILES Flexibase

16872859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[(1R,2R)-2-(4-isopropylphenyl)cyclopropyl]methanone (4-ethylphenyl)-[(1R,2R)-2-(4-is…

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Activity (Go SEA)

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)	6.09	13.41	-6.14	0	1	0	17	292.422	5	↓ MOL2 SDF SMILES Flexibase

16872860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[(1S,2R)-2-(4-isopropylphenyl)cyclopropyl]methanone (4-ethylphenyl)-[(1S,2R)-2-(4-is…

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Activity (Go SEA)

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)	6.09	13.36	-6.49	0	1	0	17	292.422	5	↓ MOL2 SDF SMILES Flexibase

16872861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-(4-ethylphenyl)methanone [(1R,2S)-2-(4-chlorophenyl)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)	5.26	11.95	-7.24	0	1	0	17	284.786	4	↓ MOL2 SDF SMILES Flexibase

16872862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-(4-ethylphenyl)methanone [(1S,2S)-2-(4-chlorophenyl)cyclo…

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Activity (Go SEA)

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)	5.26	12	-6.27	0	1	0	17	284.786	4	↓ MOL2 SDF SMILES Flexibase

16872863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(4-ethylphenyl)methanone [(1R,2R)-2-(4-chlorophenyl)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)	5.26	12	-6.32	0	1	0	17	284.786	4	↓ MOL2 SDF SMILES Flexibase

16872864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-(4-ethylphenyl)methanone [(1S,2R)-2-(4-chlorophenyl)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)	5.26	11.96	-6.76	0	1	0	17	284.786	4	↓ MOL2 SDF SMILES Flexibase

16872865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]methanone (4-ethylphenyl)-[(1R,2S)-2-(4-fl…

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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)	4.74	11.5	-8	0	1	0	17	268.331	4	↓ MOL2 SDF SMILES Flexibase

16872866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methanone (4-ethylphenyl)-[(1S,2S)-2-(4-fl…

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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)	4.74	11.55	-6.77	0	1	0	17	268.331	4	↓ MOL2 SDF SMILES Flexibase

16872867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone (4-ethylphenyl)-[(1R,2R)-2-(4-fl…

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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)	4.74	11.55	-6.89	0	1	0	17	268.331	4	↓ MOL2 SDF SMILES Flexibase

16872868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone (4-ethylphenyl)-[(1S,2R)-2-(4-fl…

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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)	4.74	11.5	-7.56	0	1	0	17	268.331	4	↓ MOL2 SDF SMILES Flexibase

16872869

Analogs

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Popular Name: (4-ethylphenyl)-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone (4-ethylphenyl)-[(1R,2S)-2-(4-me…

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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)	4.64	10.71	-8.88	0	2	0	26	280.367	5	↓ MOL2 SDF SMILES Flexibase

16872870

Analogs

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Popular Name: (4-ethylphenyl)-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone (4-ethylphenyl)-[(1S,2S)-2-(4-me…

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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)	4.64	10.78	-7.43	0	2	0	26	280.367	5	↓ MOL2 SDF SMILES Flexibase

16872871

Analogs

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Popular Name: (4-ethylphenyl)-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methanone (4-ethylphenyl)-[(1R,2R)-2-(4-me…

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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)	4.64	10.78	-7.83	0	2	0	26	280.367	5	↓ MOL2 SDF SMILES Flexibase

16872872

Analogs

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Popular Name: (4-ethylphenyl)-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]methanone (4-ethylphenyl)-[(1S,2R)-2-(4-me…

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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)	4.64	10.73	-8.13	0	2	0	26	280.367	5	↓ MOL2 SDF SMILES Flexibase

16872873

Analogs

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Popular Name: [(1S,2R)-2-(4-ethoxyphenyl)cyclopropyl]-(4-ethylphenyl)methanone [(1S,2R)-2-(4-ethoxyphenyl)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)	5.01	11.66	-8.04	0	2	0	26	294.394	6	↓ MOL2 SDF SMILES Flexibase

16872874

Analogs

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Popular Name: [(1S,2S)-2-(4-ethoxyphenyl)cyclopropyl]-(4-ethylphenyl)methanone [(1S,2S)-2-(4-ethoxyphenyl)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)	5.01	11.71	-7.55	0	2	0	26	294.394	6	↓ MOL2 SDF SMILES Flexibase

16872875

Analogs

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Popular Name: [(1R,2R)-2-(4-ethoxyphenyl)cyclopropyl]-(4-ethylphenyl)methanone [(1R,2R)-2-(4-ethoxyphenyl)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)	5.01	11.7	-7.62	0	2	0	26	294.394	6	↓ MOL2 SDF SMILES Flexibase

16872876

Analogs

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Popular Name: [(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]-(4-ethylphenyl)methanone [(1R,2S)-2-(4-ethoxyphenyl)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)	5.01	11.63	-8.81	0	2	0	26	294.394	6	↓ MOL2 SDF SMILES Flexibase

16872881

Analogs

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Popular Name: (4-ethylphenyl)-[(1R,2S)-2-(m-tolyl)cyclopropyl]methanone (4-ethylphenyl)-[(1R,2S)-2-(m-to…

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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)	5.01	12.07	-7.25	0	1	0	17	264.368	4	↓ MOL2 SDF SMILES Flexibase

16872882

Analogs

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Popular Name: (4-ethylphenyl)-[(1S,2S)-2-(m-tolyl)cyclopropyl]methanone (4-ethylphenyl)-[(1S,2S)-2-(m-to…

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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)	5.01	12.15	-6.41	0	1	0	17	264.368	4	↓ MOL2 SDF SMILES Flexibase

16872883

Analogs

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Popular Name: (4-ethylphenyl)-[(1R,2R)-2-(m-tolyl)cyclopropyl]methanone (4-ethylphenyl)-[(1R,2R)-2-(m-to…

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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)	5.01	12.15	-6.53	0	1	0	17	264.368	4	↓ MOL2 SDF SMILES Flexibase

16872884

Analogs

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Popular Name: (4-ethylphenyl)-[(1S,2R)-2-(m-tolyl)cyclopropyl]methanone (4-ethylphenyl)-[(1S,2R)-2-(m-to…

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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)	5.01	12.1	-6.78	0	1	0	17	264.368	4	↓ MOL2 SDF SMILES Flexibase

16872885

Analogs

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Popular Name: [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(4-ethylphenyl)methanone [(1R,2S)-2-(3-chlorophenyl)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)	5.24	11.93	-7.65	0	1	0	17	284.786	4	↓ MOL2 SDF SMILES Flexibase

16872886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S)-2-(3-chlorophenyl)cyclopropyl]-(4-ethylphenyl)methanone [(1S,2S)-2-(3-chlorophenyl)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)	5.24	11.99	-7.15	0	1	0	17	284.786	4	↓ MOL2 SDF SMILES Flexibase

16872887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-(4-ethylphenyl)methanone [(1R,2R)-2-(3-chlorophenyl)cyclo…

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Activity (Go SEA)

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)	5.24	11.99	-7.24	0	1	0	17	284.786	4	↓ MOL2 SDF SMILES Flexibase

16872888

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-(4-ethylphenyl)methanone [(1S,2R)-2-(3-chlorophenyl)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)	5.24	11.94	-6.1	0	1	0	17	284.786	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 227184 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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