UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43413828
43413828
43413831
43413831

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Popular Name: 5-[3-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine 5-[3-[[(2S)-tetrahydrofuran-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.62 2.08 -48.75 3 5 1 76 240.327 7 ↓

Analogs

43413828
43413828
43413831
43413831

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[3-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine 5-[3-[[(2R)-tetrahydrofuran-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.62 2.07 -49.27 3 5 1 76 240.327 7 ↓

Analogs

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Popular Name: (2S)-2-[3-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (2S)-2-[3-[[(2S)-tetrahydrofuran…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 1.54 -46.13 3 5 1 76 240.327 5 ↓
Hi High (pH 8-9.5) 1.84 1.28 -8.71 2 5 0 74 239.319 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[3-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (2R)-2-[3-[[(2S)-tetrahydrofuran…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 1.52 -45.47 3 5 1 76 240.327 5 ↓
Hi High (pH 8-9.5) 1.84 1.28 -7.28 2 5 0 74 239.319 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[3-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (2S)-2-[3-[[(2R)-tetrahydrofuran…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 1.54 -43.75 3 5 1 76 240.327 5 ↓
Hi High (pH 8-9.5) 1.84 1.28 -8.23 2 5 0 74 239.319 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[3-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (2R)-2-[3-[[(2R)-tetrahydrofuran…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 1.53 -42.25 3 5 1 76 240.327 5 ↓
Hi High (pH 8-9.5) 1.84 1.29 -6.26 2 5 0 74 239.319 5 ↓

Analogs

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Popular Name: (2S)-1-[3-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (2S)-1-[3-[[(2S)-tetrahydrofuran…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.03 0.32 -45.05 3 5 1 76 212.273 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[3-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (2R)-1-[3-[[(2S)-tetrahydrofuran…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.03 0.52 -45.62 3 5 1 76 212.273 4 ↓

Analogs

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Popular Name: (2S)-1-[3-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (2S)-1-[3-[[(2R)-tetrahydrofuran…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.03 0.32 -44.25 3 5 1 76 212.273 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[3-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (2R)-1-[3-[[(2R)-tetrahydrofuran…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.03 0.52 -43.21 3 5 1 76 212.273 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-bromopropyl]-3-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazole 5-[(1S)-1-bromopropyl]-3-[[(2S)-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 3.58 -7.75 0 4 0 48 275.146 4 ↓

Analogs

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Popular Name: 5-[(1R)-1-bromopropyl]-3-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazole 5-[(1R)-1-bromopropyl]-3-[[(2S)-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 3.58 -7.94 0 4 0 48 275.146 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-bromopropyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazole 5-[(1S)-1-bromopropyl]-3-[[(2R)-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 3.59 -6.85 0 4 0 48 275.146 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-bromopropyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazole 5-[(1R)-1-bromopropyl]-3-[[(2R)-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 3.59 -7.18 0 4 0 48 275.146 4 ↓

Analogs

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Popular Name: 4-[3-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine 4-[3-[[(2R)-tetrahydrofuran-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.11 1.2 -51.48 3 5 1 76 226.3 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine 4-[3-[[(2S)-tetrahydrofuran-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.11 1.21 -49.83 3 5 1 76 226.3 6 ↓

Parameters Provided:

ring.id = 56977
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 = 56977 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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