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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: (S)-[(2S)-azepan-2-yl]-(7-bromo-1,3-benzodioxol-5-yl)methanol (S)-[(2S)-azepan-2-yl]-(7-bromo-…

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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 4.21 -42.08 3 4 1 55 329.214 2 ↓
Hi High (pH 8-9.5) 2.94 3.02 -4.62 2 4 0 51 328.206 2 ↓

Analogs

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Popular Name: (R)-[(2S)-azepan-2-yl]-(7-bromo-1,3-benzodioxol-5-yl)methanol (R)-[(2S)-azepan-2-yl]-(7-bromo-…

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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 3.66 -46.7 3 4 1 55 329.214 2 ↓
Hi High (pH 8-9.5) 2.94 2.66 -5.07 2 4 0 51 328.206 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2R)-azepan-2-yl]-(7-bromo-1,3-benzodioxol-5-yl)methanol (S)-[(2R)-azepan-2-yl]-(7-bromo-…

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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 3.59 -46.69 3 4 1 55 329.214 2 ↓
Hi High (pH 8-9.5) 2.94 2.63 -5.65 2 4 0 51 328.206 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2R)-azepan-2-yl]-(7-bromo-1,3-benzodioxol-5-yl)methanol (R)-[(2R)-azepan-2-yl]-(7-bromo-…

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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 4.03 -42.02 3 4 1 55 329.214 2 ↓
Hi High (pH 8-9.5) 2.94 3.2 -5.47 2 4 0 51 328.206 2 ↓

Analogs

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Popular Name: (S)-[(2S)-azepan-2-yl]-(7-chloro-1,3-benzodioxol-5-yl)methanol (S)-[(2S)-azepan-2-yl]-(7-chloro…

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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) 2.81 4.1 -42.55 3 4 1 55 284.763 2 ↓
Hi High (pH 8-9.5) 2.81 2.91 -4.71 2 4 0 51 283.755 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2S)-azepan-2-yl]-(7-chloro-1,3-benzodioxol-5-yl)methanol (R)-[(2S)-azepan-2-yl]-(7-chloro…

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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) 2.81 3.55 -46.95 3 4 1 55 284.763 2 ↓
Hi High (pH 8-9.5) 2.81 2.56 -5.2 2 4 0 51 283.755 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2R)-azepan-2-yl]-(7-chloro-1,3-benzodioxol-5-yl)methanol (S)-[(2R)-azepan-2-yl]-(7-chloro…

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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) 2.81 3.47 -46.9 3 4 1 55 284.763 2 ↓
Hi High (pH 8-9.5) 2.81 2.52 -5.87 2 4 0 51 283.755 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2R)-azepan-2-yl]-(7-chloro-1,3-benzodioxol-5-yl)methanol (R)-[(2R)-azepan-2-yl]-(7-chloro…

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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) 2.81 3.94 -42.44 3 4 1 55 284.763 2 ↓
Hi High (pH 8-9.5) 2.81 3.1 -5.65 2 4 0 51 283.755 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2S)-azepan-2-yl]-(1,3-benzodioxol-5-yl)methanol (S)-[(2S)-azepan-2-yl]-(1,3-benz…

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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) 2.20 3.58 -43.19 3 4 1 55 250.318 2 ↓
Hi High (pH 8-9.5) 2.20 2.39 -5.2 2 4 0 51 249.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2S)-azepan-2-yl]-(1,3-benzodioxol-5-yl)methanol (R)-[(2S)-azepan-2-yl]-(1,3-benz…

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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) 2.20 3.03 -44.82 3 4 1 55 250.318 2 ↓
Hi High (pH 8-9.5) 2.20 2.04 -5.56 2 4 0 51 249.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2R)-azepan-2-yl]-(1,3-benzodioxol-5-yl)methanol (S)-[(2R)-azepan-2-yl]-(1,3-benz…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 2.96 -45.65 3 4 1 55 250.318 2 ↓
Hi High (pH 8-9.5) 2.20 2 -6.06 2 4 0 51 249.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2R)-azepan-2-yl]-(1,3-benzodioxol-5-yl)methanol (R)-[(2R)-azepan-2-yl]-(1,3-benz…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 3.42 -43.01 3 4 1 55 250.318 2 ↓
Hi High (pH 8-9.5) 2.20 2.58 -5.91 2 4 0 51 249.31 2 ↓

Parameters Provided:

ring.id = 535881
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 = 535881 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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