UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(chloromethyl)-1-(oxan-4-yl)-1H-1,2,3,4-tetrazole 5-(chloromethyl)-1-(oxan-4-yl)-1…

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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) 0.37 2.78 -11.01 0 5 0 53 202.645 2 ↓

Analogs

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Popular Name: 2-methyl-N-[(1-tetrahydropyran-4-yltetrazol-5-yl)methyl]propan-1-amine 2-methyl-N-[(1-tetrahydropyran-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.48 3.72 -56.94 2 6 1 69 240.331 5 ↓
Hi High (pH 8-9.5) 0.48 2.38 -9.25 1 6 0 65 239.323 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[(1-tetrahydropyran-4-yltetrazol-5-yl)methyl]ethanamine 2-methoxy-N-[(1-tetrahydropyran-…

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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) -0.66 1.41 -57.51 2 7 1 79 242.303 6 ↓
Mid Mid (pH 6-8) -0.66 0.09 -11.37 1 7 0 74 241.295 6 ↓

Analogs

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Popular Name: (1-tetrahydropyran-4-yltetrazol-5-yl)methanamine (1-tetrahydropyran-4-yltetrazol-…

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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) -1.02 -0.44 -63.27 3 6 1 80 184.223 2 ↓
Hi High (pH 8-9.5) -1.02 -0.84 -12.32 2 6 0 79 183.215 2 ↓

Analogs

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Popular Name: N-methyl-1-(1-tetrahydropyran-4-yltetrazol-5-yl)methanamine N-methyl-1-(1-tetrahydropyran-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.64 1.43 -56.65 2 6 1 69 198.25 3 ↓
Hi High (pH 8-9.5) -0.64 -0.01 -9.53 1 6 0 65 197.242 3 ↓

Analogs

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Popular Name: N-[(1-tetrahydropyran-4-yltetrazol-5-yl)methyl]ethanamine N-[(1-tetrahydropyran-4-yltetraz…

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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) -0.27 2.29 -55.77 2 6 1 69 212.277 4 ↓
Hi High (pH 8-9.5) -0.27 0.92 -9.41 1 6 0 65 211.269 4 ↓

Analogs

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Popular Name: N-[(1-tetrahydropyran-4-yltetrazol-5-yl)methyl]propan-1-amine N-[(1-tetrahydropyran-4-yltetraz…

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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) 0.24 3.03 -56.76 2 6 1 69 226.304 5 ↓
Hi High (pH 8-9.5) 0.24 1.69 -9.3 1 6 0 65 225.296 5 ↓

Analogs

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Popular Name: N-[(1-tetrahydropyran-4-yltetrazol-5-yl)methyl]propan-2-amine N-[(1-tetrahydropyran-4-yltetraz…

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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 2.81 -52.69 2 6 1 69 226.304 4 ↓
Hi High (pH 8-9.5) 0.03 1.62 -9.3 1 6 0 65 225.296 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(1-tetrahydropyran-4-yltetrazol-5-yl)methyl]propan-2-amine 2-methyl-N-[(1-tetrahydropyran-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.54 3.24 -50.56 2 6 1 69 240.331 4 ↓
Hi High (pH 8-9.5) 0.54 2.01 -8.91 1 6 0 65 239.323 4 ↓

Analogs

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Popular Name: (2S)-N-allyl-2-(1-tetrahydropyran-4-yltetrazol-5-yl)sulfanyl-propanamide (2S)-N-allyl-2-(1-tetrahydropyra…

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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) 0.72 3.16 -10.08 1 7 0 82 297.384 6 ↓

Analogs

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Popular Name: (2R)-N-allyl-2-(1-tetrahydropyran-4-yltetrazol-5-yl)sulfanyl-propanamide (2R)-N-allyl-2-(1-tetrahydropyra…

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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) 0.72 3.15 -10.13 1 7 0 82 297.384 6 ↓

Analogs

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Popular Name: 5-(2-chloroallylsulfanyl)-1-tetrahydropyran-4-yl-tetrazole 5-(2-chloroallylsulfanyl)-1-tetr…

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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) 1.59 4.62 -8.51 0 5 0 53 260.75 4 ↓

Analogs

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Popular Name: N,N-diethyl-2-(1-tetrahydropyran-4-yltetrazol-5-yl)sulfanyl-acetamide N,N-diethyl-2-(1-tetrahydropyran…

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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) 0.71 4.99 -10.52 0 7 0 73 299.4 6 ↓

Analogs

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Popular Name: 5-(2-methoxyethylsulfanyl)-1-tetrahydropyran-4-yl-tetrazole 5-(2-methoxyethylsulfanyl)-1-tet…

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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) 0.60 2.6 -9.65 0 6 0 62 244.32 5 ↓

Parameters Provided:

ring.id = 151596
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 = 151596 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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