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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 4-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline 4-fluoro-N-[2-(1-methyltetrazol-…

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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) 1.88 4.5 -10.99 1 5 0 56 253.306 5 ↓

Analogs

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Popular Name: 2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline 2-bromo-N-[2-(1-methyltetrazol-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) 2.48 5.15 -10.36 1 5 0 56 314.212 5 ↓

Analogs

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Popular Name: 2-chloro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline 2-chloro-N-[2-(1-methyltetrazol-…

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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) 2.35 5.03 -10.36 1 5 0 56 269.761 5 ↓

Analogs

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Popular Name: 3-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline 3-methyl-N-[2-(1-methyltetrazol-…

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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) 2.14 5.09 -9.7 1 5 0 56 249.343 5 ↓

Analogs

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Popular Name: 4-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline 4-methyl-N-[2-(1-methyltetrazol-…

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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) 2.17 5.11 -9.65 1 5 0 56 249.343 5 ↓

Analogs

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Popular Name: 4-chloro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline 4-chloro-N-[2-(1-methyltetrazol-…

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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) 2.40 4.96 -10.21 1 5 0 56 269.761 5 ↓

Analogs

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Popular Name: 2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline 2-fluoro-N-[2-(1-methyltetrazol-…

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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 4.53 -11.1 1 5 0 56 253.306 5 ↓

Analogs

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Popular Name: 3-chloro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline 3-chloro-N-[2-(1-methyltetrazol-…

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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) 2.37 4.95 -10.44 1 5 0 56 269.761 5 ↓

Analogs

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Popular Name: 3-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline 3-fluoro-N-[2-(1-methyltetrazol-…

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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) 1.86 4.49 -11.22 1 5 0 56 253.306 5 ↓

Analogs

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Popular Name: 3-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline 3-bromo-N-[2-(1-methyltetrazol-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) 2.50 5.05 -10.42 1 5 0 56 314.212 5 ↓

Analogs

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Popular Name: 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline 2-methyl-N-[2-(1-methyltetrazol-…

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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) 2.12 5.22 -9.67 1 5 0 56 249.343 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(1-methyltetrazol-5-yl)sulfanylpropyl]aniline N-[(2S)-2-(1-methyltetrazol-5-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) 2.08 5.24 -8.97 1 5 0 56 249.343 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropyl]aniline N-[(2R)-2-(1-methyltetrazol-5-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) 2.08 5.24 -8.97 1 5 0 56 249.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline 4-bromo-N-[2-(1-methyltetrazol-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) 2.53 5.06 -10.2 1 5 0 56 314.212 5 ↓

Analogs

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Popular Name: N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline N-[2-(1-methyltetrazol-5-yl)sulf…

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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) 1.72 4.43 -9.65 1 5 0 56 235.316 5 ↓

Parameters Provided:

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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 = 96632 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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