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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-benzyl-N-[(1-propyltetrazol-5-yl)methyl]propan-2-amine N-benzyl-N-[(1-propyltetrazol-5-…

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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) 2.18 8.63 -42.6 1 5 1 48 274.392 7 ↓
Mid Mid (pH 6-8) 2.18 6.45 -9.65 0 5 0 47 273.384 7 ↓

Analogs

44888082
44888082
44888084
44888084
44888688
44888688
44888689
44888689

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Popular Name: (1S)-N-[[2-(2-methylallyloxy)phenyl]methyl]-1-(1H-tetrazol-5-yl)ethanamine (1S)-N-[[2-(2-methylallyloxy)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 4.94 -33.85 2 6 0 79 273.34 7 ↓
Hi High (pH 8-9.5) 2.07 3.64 -39.63 1 6 -1 74 272.332 7 ↓

Analogs

44888082
44888082
44888084
44888084
44888688
44888688
44888689
44888689

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[2-(2-methylallyloxy)phenyl]methyl]-1-(1H-tetrazol-5-yl)ethanamine (1R)-N-[[2-(2-methylallyloxy)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 4.94 -34.19 2 6 0 79 273.34 7 ↓
Hi High (pH 8-9.5) 2.07 3.75 -43.67 1 6 -1 74 272.332 7 ↓

Analogs

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Popular Name: N-methyl-N-(o-tolylmethyl)-1-(1-propyltetrazol-5-yl)methanamine N-methyl-N-(o-tolylmethyl)-1-(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) 1.90 5.83 -11.07 0 5 0 47 259.357 6 ↓
Mid Mid (pH 6-8) 1.90 8.09 -51.04 1 5 1 48 260.365 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-N-[(1-propyltetrazol-5-yl)methyl]propan-2-amine 2-(4-chlorophenyl)-N-[(1-propylt…

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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) 2.94 6.43 -11.29 1 5 0 56 293.802 6 ↓
Mid Mid (pH 6-8) 2.94 7.51 -53.01 2 5 1 60 294.81 6 ↓

Parameters Provided:

ring.id = 29974
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 = 29974 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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