UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(p-tolyl)methanamine (1R)-1-cyclopropyl-N-[[(2R)-1-et…

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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) 3.79 9.3 -34.59 2 2 1 20 273.444 6 ↓
Mid Mid (pH 6-8) 3.79 10.27 -29.78 2 2 1 16 273.444 6 ↓
Lo Low (pH 4.5-6) 3.79 11.09 -116.13 3 2 2 21 274.452 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(p-tolyl)methanamine (1R)-1-cyclopropyl-N-[[(2S)-1-et…

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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) 3.79 8.12 -39.07 2 2 1 20 273.444 6 ↓
Mid Mid (pH 6-8) 3.79 9.5 -32.52 2 2 1 16 273.444 6 ↓
Lo Low (pH 4.5-6) 3.79 10.43 -114.03 3 2 2 21 274.452 6 ↓

Analogs

44686705
44686705
44686709
44686709
44686711
44686711
44686713
44686713

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Popular Name: (1R)-1-cyclopropyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methoxyphenyl)methanamine (1R)-1-cyclopropyl-N-[[(2R)-1-et…

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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) 3.40 7.92 -37.39 2 3 1 29 289.443 7 ↓
Mid Mid (pH 6-8) 3.40 8.7 -32.03 2 3 1 26 289.443 7 ↓
Lo Low (pH 4.5-6) 3.40 9.72 -118.98 3 3 2 30 290.451 7 ↓

Analogs

44686705
44686705
44686709
44686709
44686711
44686711
44686713
44686713

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methoxyphenyl)methanamine (1R)-1-cyclopropyl-N-[[(2S)-1-et…

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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) 3.40 6.72 -41.84 2 3 1 29 289.443 7 ↓
Mid Mid (pH 6-8) 3.40 8.03 -34.41 2 3 1 26 289.443 7 ↓
Lo Low (pH 4.5-6) 3.40 9.04 -117.16 3 3 2 30 290.451 7 ↓

Analogs

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Popular Name: (1R)-1-(4-chlorophenyl)-1-cyclopropyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]methanamine (1R)-1-(4-chlorophenyl)-1-cyclop…

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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) 4.02 9.14 -38.83 2 2 1 20 293.862 6 ↓
Mid Mid (pH 6-8) 4.02 9.93 -32.34 2 2 1 16 293.862 6 ↓
Lo Low (pH 4.5-6) 4.02 10.94 -122.18 3 2 2 21 294.87 6 ↓

Analogs

44686724
44686724
44686727
44686727
44686730
44686730
44686732
44686732

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Popular Name: (1R)-1-(4-chlorophenyl)-1-cyclopropyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanamine (1R)-1-(4-chlorophenyl)-1-cyclop…

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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) 4.02 7.96 -43.54 2 2 1 20 293.862 6 ↓
Mid Mid (pH 6-8) 4.02 9.26 -34.22 2 2 1 16 293.862 6 ↓
Lo Low (pH 4.5-6) 4.02 10.27 -119.91 3 2 2 21 294.87 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-fluorophenyl)methanamine (1R)-1-cyclopropyl-N-[[(2R)-1-et…

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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 8.69 -39.83 2 2 1 20 277.407 6 ↓
Mid Mid (pH 6-8) 3.51 9.47 -33.25 2 2 1 16 277.407 6 ↓
Lo Low (pH 4.5-6) 3.51 10.48 -123.26 3 2 2 21 278.415 6 ↓

Analogs

44687252
44687252
44687254
44687254
44687257
44687257
44687260
44687260

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Popular Name: (1R)-1-cyclopropyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-fluorophenyl)methanamine (1R)-1-cyclopropyl-N-[[(2S)-1-et…

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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 7.5 -44.53 2 2 1 20 277.407 6 ↓
Mid Mid (pH 6-8) 3.51 8.8 -35.13 2 2 1 16 277.407 6 ↓
Lo Low (pH 4.5-6) 3.51 9.81 -121.05 3 2 2 21 278.415 6 ↓

Parameters Provided:

ring.id = 548166
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 = 548166 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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