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

Analogs

35497750
35497750
35497752
35497752
35497753
35497753

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-[(2S)-tetrahydrofuran-2-yl]methanamine (1S)-1-(2,5-dimethyl-3-thienyl)-…

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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) 2.09 5.91 -37.63 2 2 1 26 226.365 3 ↓
Hi High (pH 8-9.5) 2.09 5.07 -4.81 1 2 0 21 225.357 3 ↓

Analogs

35497752
35497752
35497753
35497753
35497748
35497748

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-[(2S)-tetrahydrofuran-2-yl]methanamine (1R)-1-(2,5-dimethyl-3-thienyl)-…

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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) 2.09 6.05 -39.95 2 2 1 26 226.365 3 ↓
Hi High (pH 8-9.5) 2.09 4.85 -3.29 1 2 0 21 225.357 3 ↓

Analogs

35497753
35497753
35497748
35497748
35497750
35497750

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-[(2R)-tetrahydrofuran-2-yl]methanamine (1S)-1-(2,5-dimethyl-3-thienyl)-…

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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) 2.09 6.06 -40.15 2 2 1 26 226.365 3 ↓
Hi High (pH 8-9.5) 2.09 5.14 -4.13 1 2 0 21 225.357 3 ↓

Analogs

35497748
35497748
35497750
35497750
35497752
35497752

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-[(2R)-tetrahydrofuran-2-yl]methanamine (1R)-1-(2,5-dimethyl-3-thienyl)-…

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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) 2.09 5.91 -37.37 2 2 1 26 226.365 3 ↓
Hi High (pH 8-9.5) 2.09 5.06 -3.63 1 2 0 21 225.357 3 ↓

Analogs

35502256
35502256
35502258
35502258
35502260
35502260

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-[(2S)-tetrahydrofuran-2-yl]methanamine (1S)-1-(2,5-dichloro-3-thienyl)-…

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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) 3.25 5.58 -37.26 2 2 1 26 267.201 3 ↓
Hi High (pH 8-9.5) 3.25 4.67 -1.51 1 2 0 21 266.193 3 ↓

Analogs

35502258
35502258
35502260
35502260
35502255
35502255

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-[(2S)-tetrahydrofuran-2-yl]methanamine (1R)-1-(2,5-dichloro-3-thienyl)-…

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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) 3.25 5.83 -33.46 2 2 1 26 267.201 3 ↓
Hi High (pH 8-9.5) 3.25 4.69 -2.51 1 2 0 21 266.193 3 ↓

Analogs

35502260
35502260
35502255
35502255
35502256
35502256

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-[(2R)-tetrahydrofuran-2-yl]methanamine (1S)-1-(2,5-dichloro-3-thienyl)-…

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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) 3.25 5.1 -36.46 2 2 1 26 267.201 3 ↓
Hi High (pH 8-9.5) 3.25 4.43 -1.9 1 2 0 21 266.193 3 ↓

Analogs

35502255
35502255
35502256
35502256
35502258
35502258

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-[(2R)-tetrahydrofuran-2-yl]methanamine (1R)-1-(2,5-dichloro-3-thienyl)-…

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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) 3.25 5.55 -36.82 2 2 1 26 267.201 3 ↓
Hi High (pH 8-9.5) 3.25 4.68 -2.5 1 2 0 21 266.193 3 ↓

Analogs

35502997
35502997
35503000
35503000
35503003
35503003

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-[(2S)-tetrahydrofuran-2-yl]methanamine (1S)-1-(2,5-dibromo-3-thienyl)-N…

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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) 3.51 5.78 -37.2 2 2 1 26 356.103 3 ↓
Hi High (pH 8-9.5) 3.51 4.87 -1.62 1 2 0 21 355.095 3 ↓

Analogs

35503000
35503000
35503003
35503003
35502995
35502995

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-[(2S)-tetrahydrofuran-2-yl]methanamine (1R)-1-(2,5-dibromo-3-thienyl)-N…

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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) 3.51 6.1 -33.1 2 2 1 26 356.103 3 ↓
Hi High (pH 8-9.5) 3.51 4.93 -2.62 1 2 0 21 355.095 3 ↓

Analogs

35503003
35503003
35502995
35502995
35502997
35502997

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-[(2R)-tetrahydrofuran-2-yl]methanamine (1S)-1-(2,5-dibromo-3-thienyl)-N…

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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) 3.51 5.43 -35.82 2 2 1 26 356.103 3 ↓
Hi High (pH 8-9.5) 3.51 4.66 -1.89 1 2 0 21 355.095 3 ↓

Analogs

35502995
35502995
35502997
35502997
35503000
35503000

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-[(2R)-tetrahydrofuran-2-yl]methanamine (1R)-1-(2,5-dibromo-3-thienyl)-N…

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) 3.51 5.74 -36.73 2 2 1 26 356.103 3 ↓
Hi High (pH 8-9.5) 3.51 4.89 -2.62 1 2 0 21 355.095 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,5-dichloro-3-thienyl)-[(2S)-tetrahydrofuran-2-yl]methanamine (S)-(2,5-dichloro-3-thienyl)-[(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) 0.99 3.95 -42.82 3 2 1 37 253.174 2 ↓
Hi High (pH 8-9.5) 0.99 3.61 -2.52 2 2 0 35 252.166 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,5-dichloro-3-thienyl)-[(2S)-tetrahydrofuran-2-yl]methanamine (R)-(2,5-dichloro-3-thienyl)-[(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) 0.99 4.05 -46.9 3 2 1 37 253.174 2 ↓
Hi High (pH 8-9.5) 0.99 3.75 -2.03 2 2 0 35 252.166 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,5-dichloro-3-thienyl)-[(2R)-tetrahydrofuran-2-yl]methanamine (S)-(2,5-dichloro-3-thienyl)-[(2…

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) 0.99 3.92 -47 3 2 1 37 253.174 2 ↓
Hi High (pH 8-9.5) 0.99 3.6 -2.97 2 2 0 35 252.166 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,5-dichloro-3-thienyl)-[(2R)-tetrahydrofuran-2-yl]methanamine (R)-(2,5-dichloro-3-thienyl)-[(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) 0.99 3.97 -42.7 3 2 1 37 253.174 2 ↓
Hi High (pH 8-9.5) 0.99 3.69 -1.67 2 2 0 35 252.166 2 ↓

Parameters Provided:

ring.id = 17462
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 = 17462 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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