ZINC 12

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ZINC Item

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35626034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[2-[(1S)-1-hydroxypropyl]phenoxy]tetrahydrofuran-2-one (3R)-3-[2-[(1S)-1-hydroxypropyl]…

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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)	0.85	4.31	-11.42	1	4	0	56	236.267	4	↓ MOL2 SDF SMILES Flexibase

35626035

Analogs

43460772
43460773
43460774
43460775

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[2-[(1R)-1-hydroxypropyl]phenoxy]tetrahydrofuran-2-one (3R)-3-[2-[(1R)-1-hydroxypropyl]…

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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)	0.85	4.31	-10.64	1	4	0	56	236.267	4	↓ MOL2 SDF SMILES Flexibase

35626036

Analogs

43460772
43460773
43460774
43460775

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[2-[(1S)-1-hydroxypropyl]phenoxy]tetrahydrofuran-2-one (3S)-3-[2-[(1S)-1-hydroxypropyl]…

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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)	0.85	4.3	-10.6	1	4	0	56	236.267	4	↓ MOL2 SDF SMILES Flexibase

35626037

Analogs

43460772
43460773
43460774
43460775

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[2-[(1R)-1-hydroxypropyl]phenoxy]tetrahydrofuran-2-one (3S)-3-[2-[(1R)-1-hydroxypropyl]…

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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)	0.85	4.3	-11.38	1	4	0	56	236.267	4	↓ MOL2 SDF SMILES Flexibase

35626407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-[(1S)-1-hydroxyethyl]phenoxy]tetrahydrofuran-2-one (3R)-3-[4-[(1S)-1-hydroxyethyl]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)	0.39	3.28	-12.16	1	4	0	56	222.24	3	↓ MOL2 SDF SMILES Flexibase

35626408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-[(1R)-1-hydroxyethyl]phenoxy]tetrahydrofuran-2-one (3R)-3-[4-[(1R)-1-hydroxyethyl]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)	0.39	3.25	-11.75	1	4	0	56	222.24	3	↓ MOL2 SDF SMILES Flexibase

35626409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-[(1S)-1-hydroxyethyl]phenoxy]tetrahydrofuran-2-one (3S)-3-[4-[(1S)-1-hydroxyethyl]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)	0.39	3.27	-11.82	1	4	0	56	222.24	3	↓ MOL2 SDF SMILES Flexibase

35626410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-[(1R)-1-hydroxyethyl]phenoxy]tetrahydrofuran-2-one (3S)-3-[4-[(1R)-1-hydroxyethyl]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)	0.39	3.24	-12.22	1	4	0	56	222.24	3	↓ MOL2 SDF SMILES Flexibase

35626703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-[(1S)-1-hydroxyethyl]-2-methoxy-phenoxy]tetrahydrofuran-2-one (3R)-3-[4-[(1S)-1-hydroxyethyl]-…

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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)	-0.02	3.17	-13.99	1	5	0	65	252.266	4	↓ MOL2 SDF SMILES Flexibase

35626704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-[(1R)-1-hydroxyethyl]-2-methoxy-phenoxy]tetrahydrofuran-2-one (3R)-3-[4-[(1R)-1-hydroxyethyl]-…

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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)	-0.02	3.14	-13.55	1	5	0	65	252.266	4	↓ MOL2 SDF SMILES Flexibase

35626705

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-[(1S)-1-hydroxyethyl]-2-methoxy-phenoxy]tetrahydrofuran-2-one (3S)-3-[4-[(1S)-1-hydroxyethyl]-…

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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)	-0.02	3.17	-13.59	1	5	0	65	252.266	4	↓ MOL2 SDF SMILES Flexibase

35626706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-[(1R)-1-hydroxyethyl]-2-methoxy-phenoxy]tetrahydrofuran-2-one (3S)-3-[4-[(1R)-1-hydroxyethyl]-…

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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)	-0.02	3.13	-14.02	1	5	0	65	252.266	4	↓ MOL2 SDF SMILES Flexibase

35627166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[2-[(1S)-1-hydroxyethyl]phenoxy]tetrahydrofuran-2-one (3R)-3-[2-[(1S)-1-hydroxyethyl]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)	0.34	3.39	-11.48	1	4	0	56	222.24	3	↓ MOL2 SDF SMILES Flexibase

35627167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[2-[(1R)-1-hydroxyethyl]phenoxy]tetrahydrofuran-2-one (3R)-3-[2-[(1R)-1-hydroxyethyl]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)	0.34	3.39	-11.08	1	4	0	56	222.24	3	↓ MOL2 SDF SMILES Flexibase

35627168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[2-[(1S)-1-hydroxyethyl]phenoxy]tetrahydrofuran-2-one (3S)-3-[2-[(1S)-1-hydroxyethyl]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)	0.34	3.37	-11.08	1	4	0	56	222.24	3	↓ MOL2 SDF SMILES Flexibase

35627169

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[2-[(1R)-1-hydroxyethyl]phenoxy]tetrahydrofuran-2-one (3S)-3-[2-[(1R)-1-hydroxyethyl]p…

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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)	0.34	3.37	-11.5	1	4	0	56	222.24	3	↓ MOL2 SDF SMILES Flexibase

35627474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-[(3S)-3-hydroxybutyl]phenoxy]tetrahydrofuran-2-one (3R)-3-[4-[(3S)-3-hydroxybutyl]p…

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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)	1.25	4.82	-11.06	1	4	0	56	250.294	5	↓ MOL2 SDF SMILES Flexibase

35627475

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-[(3R)-3-hydroxybutyl]phenoxy]tetrahydrofuran-2-one (3R)-3-[4-[(3R)-3-hydroxybutyl]p…

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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)	1.25	4.82	-11.53	1	4	0	56	250.294	5	↓ MOL2 SDF SMILES Flexibase

35627476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-[(3S)-3-hydroxybutyl]phenoxy]tetrahydrofuran-2-one (3S)-3-[4-[(3S)-3-hydroxybutyl]p…

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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)	1.25	4.81	-11.12	1	4	0	56	250.294	5	↓ MOL2 SDF SMILES Flexibase

35627477

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-[(3R)-3-hydroxybutyl]phenoxy]tetrahydrofuran-2-one (3S)-3-[4-[(3R)-3-hydroxybutyl]p…

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)	1.25	4.81	-11.45	1	4	0	56	250.294	5	↓ MOL2 SDF SMILES Flexibase

35627877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[3-[(1S)-1-hydroxyethyl]phenoxy]tetrahydrofuran-2-one (3R)-3-[3-[(1S)-1-hydroxyethyl]p…

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)	0.37	3.27	-11.06	1	4	0	56	222.24	3	↓ MOL2 SDF SMILES Flexibase

35627878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[3-[(1R)-1-hydroxyethyl]phenoxy]tetrahydrofuran-2-one (3R)-3-[3-[(1R)-1-hydroxyethyl]p…

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)	0.37	3.25	-11.86	1	4	0	56	222.24	3	↓ MOL2 SDF SMILES Flexibase

35627879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[3-[(1S)-1-hydroxyethyl]phenoxy]tetrahydrofuran-2-one (3S)-3-[3-[(1S)-1-hydroxyethyl]p…

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)	0.37	3.28	-11.31	1	4	0	56	222.24	3	↓ MOL2 SDF SMILES Flexibase

35627880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[3-[(1R)-1-hydroxyethyl]phenoxy]tetrahydrofuran-2-one (3S)-3-[3-[(1R)-1-hydroxyethyl]p…

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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)	0.37	3.24	-11.68	1	4	0	56	222.24	3	↓ MOL2 SDF SMILES Flexibase

35628403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-[(1S)-1-hydroxypropyl]phenoxy]tetrahydrofuran-2-one (3R)-3-[4-[(1S)-1-hydroxypropyl]…

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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)	0.89	4.22	-11.03	1	4	0	56	236.267	4	↓ MOL2 SDF SMILES Flexibase

35628404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-[(1R)-1-hydroxypropyl]phenoxy]tetrahydrofuran-2-one (3R)-3-[4-[(1R)-1-hydroxypropyl]…

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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)	0.89	4.19	-10.52	1	4	0	56	236.267	4	↓ MOL2 SDF SMILES Flexibase

35628405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-[(1S)-1-hydroxypropyl]phenoxy]tetrahydrofuran-2-one (3S)-3-[4-[(1S)-1-hydroxypropyl]…

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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)	0.89	4.21	-10.48	1	4	0	56	236.267	4	↓ MOL2 SDF SMILES Flexibase

35628406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-[(1R)-1-hydroxypropyl]phenoxy]tetrahydrofuran-2-one (3S)-3-[4-[(1R)-1-hydroxypropyl]…

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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)	0.89	4.18	-10.96	1	4	0	56	236.267	4	↓ MOL2 SDF SMILES Flexibase

35630444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[2-[(1R)-1-hydroxyethyl]-4-methyl-phenoxy]tetrahydrofuran-2-one (3R)-3-[2-[(1R)-1-hydroxyethyl]-…

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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)	0.77	4.05	-11.2	1	4	0	56	236.267	3	↓ MOL2 SDF SMILES Flexibase

35630445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[2-[(1S)-1-hydroxyethyl]-4-methyl-phenoxy]tetrahydrofuran-2-one (3R)-3-[2-[(1S)-1-hydroxyethyl]-…

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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)	0.77	4.05	-11.66	1	4	0	56	236.267	3	↓ MOL2 SDF SMILES Flexibase

35630446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[2-[(1R)-1-hydroxyethyl]-4-methyl-phenoxy]tetrahydrofuran-2-one (3S)-3-[2-[(1R)-1-hydroxyethyl]-…

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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)	0.77	4.03	-11.64	1	4	0	56	236.267	3	↓ MOL2 SDF SMILES Flexibase

35630447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[2-[(1S)-1-hydroxyethyl]-4-methyl-phenoxy]tetrahydrofuran-2-one (3S)-3-[2-[(1S)-1-hydroxyethyl]-…

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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)	0.77	4.04	-11.2	1	4	0	56	236.267	3	↓ MOL2 SDF SMILES Flexibase

37093739

Analogs

42876052

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-2-[(3R)-2-oxotetrahydrofuran-3-yl]oxy-benzoic 5-methoxy-2-[(3R)-2-oxotetrahydr…

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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)	0.81	5.69	-59.77	0	6	-1	85	251.214	4	↓ MOL2 SDF SMILES Flexibase

37093740

Analogs

42876052

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-2-[(3S)-2-oxotetrahydrofuran-3-yl]oxy-benzoic 5-methoxy-2-[(3S)-2-oxotetrahydr…

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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)	0.81	5.68	-59.64	0	6	-1	85	251.214	4	↓ MOL2 SDF SMILES Flexibase

37094026

Analogs

42876914
42876918
1672583
2048042

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Popular Name: (3R)-3-[2-(hydroxymethyl)-4-methoxy-phenoxy]tetrahydrofuran-2-one (3R)-3-[2-(hydroxymethyl)-4-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.15	1.93	-12.98	1	5	0	65	238.239	4	↓ MOL2 SDF SMILES Flexibase

37094027

Analogs

42876914
42876918
1672583
2048042

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Popular Name: (3S)-3-[2-(hydroxymethyl)-4-methoxy-phenoxy]tetrahydrofuran-2-one (3S)-3-[2-(hydroxymethyl)-4-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.15	1.92	-12.95	1	5	0	65	238.239	4	↓ MOL2 SDF SMILES Flexibase

62997739

Analogs

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Popular Name: (3R)-3-(4-amino-2,5-dimethyl-phenoxy)tetrahydrofuran-2-one (3R)-3-(4-amino-2,5-dimethyl-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)	1.06	4.48	-10.78	2	4	0	62	221.256	2	↓ MOL2 SDF SMILES Flexibase

62997740

Analogs

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Popular Name: (3S)-3-(4-amino-2,5-dimethyl-phenoxy)tetrahydrofuran-2-one (3S)-3-(4-amino-2,5-dimethyl-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)	1.06	4.48	-10.78	2	4	0	62	221.256	2	↓ MOL2 SDF SMILES Flexibase

48785832

Analogs

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Popular Name: 3-ethoxy-4-[(3R)-2-oxotetrahydrofuran-3-yl]oxy-benzenecarbothioamide 3-ethoxy-4-[(3R)-2-oxotetrahydro…

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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)	0.59	5.14	-19.86	2	5	0	71	281.333	5	↓ MOL2 SDF SMILES Flexibase

48785834

Analogs

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Popular Name: 3-ethoxy-4-[(3S)-2-oxotetrahydrofuran-3-yl]oxy-benzenecarbothioamide 3-ethoxy-4-[(3S)-2-oxotetrahydro…

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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)	0.59	5.14	-18.22	2	5	0	71	281.333	5	↓ MOL2 SDF SMILES Flexibase

48795368

Analogs

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Popular Name: (3R)-3-[2-bromo-6-(propylaminomethyl)phenoxy]tetrahydrofuran-2-one (3R)-3-[2-bromo-6-(propylaminome…

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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)	1.98	7.37	-51.96	2	4	1	52	329.214	6	↓ MOL2 SDF SMILES Flexibase

48795370

Analogs

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Popular Name: (3S)-3-[2-bromo-6-(propylaminomethyl)phenoxy]tetrahydrofuran-2-one (3S)-3-[2-bromo-6-(propylaminome…

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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)	1.98	7.55	-55.63	2	4	1	52	329.214	6	↓ MOL2 SDF SMILES Flexibase

48795641

Analogs

42411759
42411760

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Popular Name: (3R)-3-[2-bromo-6-[(isopropylamino)methyl]phenoxy]tetrahydrofuran-2-one (3R)-3-[2-bromo-6-[(isopropylami…

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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)	1.77	7.01	-49.1	2	4	1	52	329.214	5	↓ MOL2 SDF SMILES Flexibase

48795642

Analogs

42411759
42411760

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Popular Name: (3S)-3-[2-bromo-6-[(isopropylamino)methyl]phenoxy]tetrahydrofuran-2-one (3S)-3-[2-bromo-6-[(isopropylami…

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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)	1.77	7.08	-51.6	2	4	1	52	329.214	5	↓ MOL2 SDF SMILES Flexibase

37226452

Analogs

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Popular Name: 5-methoxy-2-nitro-4-[(3R)-2-oxotetrahydrofuran-3-yl]oxy-benzaldehyde 5-methoxy-2-nitro-4-[(3R)-2-oxot…

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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)	0.09	5.36	-12.88	0	8	0	108	281.22	5	↓ MOL2 SDF SMILES Flexibase

37226453

Analogs

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Popular Name: 5-methoxy-2-nitro-4-[(3S)-2-oxotetrahydrofuran-3-yl]oxy-benzaldehyde 5-methoxy-2-nitro-4-[(3S)-2-oxot…

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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)	0.09	5.35	-12.82	0	8	0	108	281.22	5	↓ MOL2 SDF SMILES Flexibase

37226499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-2-nitro-4-[(3R)-2-oxotetrahydrofuran-3-yl]oxy-benzoic 5-methoxy-2-nitro-4-[(3R)-2-oxot…

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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)	0.40	6.69	-57.73	0	9	-1	131	296.211	5	↓ MOL2 SDF SMILES Flexibase

37226500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-2-nitro-4-[(3S)-2-oxotetrahydrofuran-3-yl]oxy-benzoic 5-methoxy-2-nitro-4-[(3S)-2-oxot…

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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)	0.40	6.71	-56.74	0	9	-1	131	296.211	5	↓ MOL2 SDF SMILES Flexibase

37226579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]tetrahydrofuran-2-one (3R)-3-[4-(hydroxymethyl)-2-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.36	3.04	-14.41	1	8	0	111	283.236	5	↓ MOL2 SDF SMILES Flexibase

37226580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]tetrahydrofuran-2-one (3S)-3-[4-(hydroxymethyl)-2-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.36	3.04	-14.42	1	8	0	111	283.236	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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