UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

52269880
52269880
52269881
52269881
52269884
52269884
52269887
52269887

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Popular Name: 1,1-dicyclopropyl-N-(2-thienylmethyl)methanamine 1,1-dicyclopropyl-N-(2-thienylme…

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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 8.01 -33.84 2 1 1 17 208.35 5 ↓
Hi High (pH 8-9.5) 3.12 6.78 -1.99 1 1 0 12 207.342 5 ↓

Analogs

52269966
52269966
52269969
52269969
52269972
52269972
52269975
52269975

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Popular Name: 1,1-dicyclopropyl-N-[(3-methyl-2-thienyl)methyl]methanamine 1,1-dicyclopropyl-N-[(3-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) 3.50 8.85 -32.65 2 1 1 17 222.377 5 ↓
Hi High (pH 8-9.5) 3.50 7.92 -1.74 1 1 0 12 221.369 5 ↓

Analogs

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Popular Name: (1S)-N-(dicyclopropylmethyl)-2-methyl-1-(2-thienyl)propan-1-amine (1S)-N-(dicyclopropylmethyl)-2-m…

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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) 4.43 9.17 -27.4 2 1 1 17 250.431 6 ↓

Analogs

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Popular Name: (1R)-N-(dicyclopropylmethyl)-2-methyl-1-(2-thienyl)propan-1-amine (1R)-N-(dicyclopropylmethyl)-2-m…

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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) 4.43 9.46 -27.86 2 1 1 17 250.431 6 ↓

Analogs

36056498
36056498
36056497
36056497

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Popular Name: methyl methyl

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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) 3.13 9.27 -27.67 2 3 1 43 280.413 8 ↓
Mid Mid (pH 6-8) 3.13 8.4 -3.79 1 3 0 38 279.405 8 ↓

Analogs

36056498
36056498
36056497
36056497

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Popular Name: methyl methyl

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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) 3.13 8.82 -27.16 2 3 1 43 280.413 8 ↓
Mid Mid (pH 6-8) 3.13 7.92 -3.3 1 3 0 38 279.405 8 ↓

Analogs

12912469
12912469
12912472
12912472
13389052
13389052

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Popular Name: (3R)-3-(dicyclopropylmethylamino)-3-(2-thienyl)propanoic (3R)-3-(dicyclopropylmethylamino…

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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) 2.82 9.21 -28.57 2 3 0 57 265.378 7 ↓
Hi High (pH 8-9.5) 2.82 8.05 -44.57 1 3 -1 52 264.37 7 ↓

Analogs

12912469
12912469
12912472
12912472
13389052
13389052

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Popular Name: (3S)-3-(dicyclopropylmethylamino)-3-(2-thienyl)propanoic (3S)-3-(dicyclopropylmethylamino…

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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) 2.82 9.22 -27.09 2 3 0 57 265.378 7 ↓
Hi High (pH 8-9.5) 2.82 8.32 -45.18 1 3 -1 52 264.37 7 ↓

Analogs

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Popular Name: 1,1-dicyclopropyl-N-[(5-ethyl-2-thienyl)methyl]methanamine 1,1-dicyclopropyl-N-[(5-ethyl-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) 3.92 9.69 -33.84 2 1 1 17 236.404 6 ↓
Hi High (pH 8-9.5) 3.92 8.5 -1.86 1 1 0 12 235.396 6 ↓

Analogs

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Popular Name: (1S)-1-(3-bromo-2-thienyl)-N-(dicyclopropylmethyl)ethanamine (1S)-1-(3-bromo-2-thienyl)-N-(di…

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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) 4.42 8.7 -29.49 2 1 1 17 301.273 5 ↓
Hi High (pH 8-9.5) 4.42 7.97 -1.32 1 1 0 12 300.265 5 ↓

Analogs

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Popular Name: (1R)-1-(3-bromo-2-thienyl)-N-(dicyclopropylmethyl)ethanamine (1R)-1-(3-bromo-2-thienyl)-N-(di…

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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) 4.42 9.05 -30.1 2 1 1 17 301.273 5 ↓
Hi High (pH 8-9.5) 4.42 8.1 -2.03 1 1 0 12 300.265 5 ↓

Analogs

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Popular Name: (1S)-N-(dicyclopropylmethyl)-1-(2-thienyl)butan-1-amine (1S)-N-(dicyclopropylmethyl)-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) 4.74 10.01 -29.59 2 1 1 17 250.431 7 ↓
Hi High (pH 8-9.5) 4.74 9.19 -1.17 1 1 0 12 249.423 7 ↓

Analogs

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Popular Name: (1R)-N-(dicyclopropylmethyl)-1-(2-thienyl)butan-1-amine (1R)-N-(dicyclopropylmethyl)-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) 4.74 9.62 -28.71 2 1 1 17 250.431 7 ↓
Hi High (pH 8-9.5) 4.74 8.7 -1.65 1 1 0 12 249.423 7 ↓

Parameters Provided:

ring.id = 26409
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 = 26409 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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