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

Analogs

40772131
40772131

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-bromo-N-[2-(4-methyl-1-piperidyl)ethyl]chroman-4-amine (4R)-6-bromo-N-[2-(4-methyl-1-pi…

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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) 2.88 8.2 -37.82 2 3 1 26 354.312 4 ↓

Analogs

40772128
40772128

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-bromo-N-[2-(4-methyl-1-piperidyl)ethyl]chroman-4-amine (4S)-6-bromo-N-[2-(4-methyl-1-pi…

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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) 2.88 8.47 -38.34 2 3 1 26 354.312 4 ↓

Analogs

37782665
37782665
37782666
37782666
37782667
37782667
37782668
37782668
44687051
44687051

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-bromo-N-[(1S)-1-methyl-2-(1-piperidyl)ethyl]chroman-4-amine (4R)-6-bromo-N-[(1S)-1-methyl-2-…

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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) 2.97 8.98 -123.47 3 3 2 30 355.32 4 ↓
Hi High (pH 8-9.5) 2.97 7.19 -37.67 2 3 1 29 354.312 4 ↓
Mid Mid (pH 6-8) 2.97 8.37 -36.31 2 3 1 26 354.312 4 ↓

Analogs

37782665
37782665
37782666
37782666
37782667
37782667
37782668
37782668
44687051
44687051

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-bromo-N-[(1R)-1-methyl-2-(1-piperidyl)ethyl]chroman-4-amine (4R)-6-bromo-N-[(1R)-1-methyl-2-…

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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) 2.97 9.65 -121.4 3 3 2 30 355.32 4 ↓
Hi High (pH 8-9.5) 2.97 7.81 -37.33 2 3 1 29 354.312 4 ↓
Mid Mid (pH 6-8) 2.97 8.59 -34.69 2 3 1 26 354.312 4 ↓

Analogs

44687051
44687051
44687054
44687054
44687056
44687056
44687059
44687059
45693110
45693110

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-bromo-N-[(1S)-1-methyl-2-(1-piperidyl)ethyl]chroman-4-amine (4S)-6-bromo-N-[(1S)-1-methyl-2-…

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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) 2.97 9.66 -121.3 3 3 2 30 355.32 4 ↓
Hi High (pH 8-9.5) 2.97 7.82 -37.42 2 3 1 29 354.312 4 ↓
Mid Mid (pH 6-8) 2.97 8.67 -37.89 2 3 1 26 354.312 4 ↓

Analogs

37782665
37782665
37782666
37782666
37782667
37782667
37782668
37782668
45693110
45693110

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-bromo-N-[(1R)-1-methyl-2-(1-piperidyl)ethyl]chroman-4-amine (4S)-6-bromo-N-[(1R)-1-methyl-2-…

Find On: PubMed — Wikipedia — Google

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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) 2.97 8.99 -123.38 3 3 2 30 355.32 4 ↓
Hi High (pH 8-9.5) 2.97 7.18 -37.69 2 3 1 29 354.312 4 ↓
Mid Mid (pH 6-8) 2.97 8.67 -35 2 3 1 26 354.312 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-bromo-N-[2-(1-piperidyl)ethyl]chroman-4-amine (4R)-6-bromo-N-[2-(1-piperidyl)e…

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) 2.64 7.87 -37.43 2 3 1 26 340.285 4 ↓
Mid Mid (pH 6-8) 2.64 8.81 -125.92 3 3 2 30 341.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-bromo-N-[2-(1-piperidyl)ethyl]chroman-4-amine (4S)-6-bromo-N-[2-(1-piperidyl)e…

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) 2.64 7.59 -36.92 2 3 1 26 340.285 4 ↓
Mid Mid (pH 6-8) 2.64 8.8 -125.96 3 3 2 30 341.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-methoxy-N-[2-(1-piperidyl)ethyl]chroman-4-amine (4R)-6-methoxy-N-[2-(1-piperidyl…

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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) 1.89 6.54 -37.96 2 4 1 35 291.415 5 ↓
Mid Mid (pH 6-8) 1.89 7.46 -124.18 3 4 2 40 292.423 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-methoxy-N-[2-(1-piperidyl)ethyl]chroman-4-amine (4S)-6-methoxy-N-[2-(1-piperidyl…

Find On: PubMed — Wikipedia — Google

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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) 1.89 6.26 -37.27 2 4 1 35 291.415 5 ↓
Mid Mid (pH 6-8) 1.89 7.46 -124.17 3 4 2 40 292.423 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6,8-dichloro-N-[2-(1-piperidyl)ethyl]chroman-4-amine (4R)-6,8-dichloro-N-[2-(1-piperi…

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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) 3.12 8.31 -39.75 2 3 1 26 330.279 4 ↓
Mid Mid (pH 6-8) 3.12 9.25 -132.17 3 3 2 30 331.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6,8-dichloro-N-[2-(1-piperidyl)ethyl]chroman-4-amine (4S)-6,8-dichloro-N-[2-(1-piperi…

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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) 3.12 8.04 -39.44 2 3 1 26 330.279 4 ↓
Mid Mid (pH 6-8) 3.12 9.25 -132.25 3 3 2 30 331.287 4 ↓

Parameters Provided:

ring.id = 518268
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 = 518268 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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