UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42496496
42496496
42496498
42496498
42555368
42555368
42555371
42555371
42580572
42580572

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Popular Name: (3R)-3-(aminomethyl)-N-cyclopropyl-N-ethyl-quinuclidin-3-amine (3R)-3-(aminomethyl)-N-cycloprop…

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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) 0.61 3.74 -107.76 4 3 2 35 225.38 4 ↓
Hi High (pH 8-9.5) 0.61 1.28 -42.74 3 3 1 34 224.372 4 ↓
Hi High (pH 8-9.5) 0.61 3.72 -34.37 3 3 1 34 224.372 4 ↓

Analogs

42496496
42496496
42496498
42496498
42555368
42555368
42555371
42555371
42580572
42580572

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(aminomethyl)-N-cyclopropyl-N-ethyl-quinuclidin-3-amine (3S)-3-(aminomethyl)-N-cycloprop…

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) 0.61 3.75 -105.92 4 3 2 35 225.38 4 ↓
Hi High (pH 8-9.5) 0.61 1.33 -43.93 3 3 1 34 224.372 4 ↓
Hi High (pH 8-9.5) 0.61 3.66 -30.01 3 3 1 34 224.372 4 ↓

Analogs

42496496
42496496
42496498
42496498
42555368
42555368
42555371
42555371
42580572
42580572

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(aminomethyl)-N-cyclopropyl-N-methyl-quinuclidin-3-amine (3R)-3-(aminomethyl)-N-cycloprop…

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) 0.24 2.46 -103.75 4 3 2 35 211.353 3 ↓
Hi High (pH 8-9.5) 0.24 3.18 -33.31 3 3 1 34 210.345 3 ↓
Hi High (pH 8-9.5) 0.24 0.04 -40.92 3 3 1 34 210.345 3 ↓

Analogs

42496496
42496496
42496498
42496498
42555368
42555368
42555371
42555371
42580572
42580572

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(aminomethyl)-N-cyclopropyl-N-methyl-quinuclidin-3-amine (3S)-3-(aminomethyl)-N-cycloprop…

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) 0.24 2.45 -105.73 4 3 2 35 211.353 3 ↓
Hi High (pH 8-9.5) 0.24 2.1 -32.41 3 3 1 34 210.345 3 ↓
Hi High (pH 8-9.5) 0.24 0.04 -41.56 3 3 1 34 210.345 3 ↓

Analogs

42496496
42496496
42496498
42496498
42555368
42555368
42555371
42555371
42580572
42580572

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(aminomethyl)-N-cyclopropyl-N-propyl-quinuclidin-3-amine (3R)-3-(aminomethyl)-N-cycloprop…

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) 1.11 4.45 -108.34 4 3 2 35 239.407 5 ↓
Hi High (pH 8-9.5) 1.11 2.04 -42.91 3 3 1 34 238.399 5 ↓
Hi High (pH 8-9.5) 1.11 4.42 -34.43 3 3 1 34 238.399 5 ↓

Analogs

42555368
42555368
42555371
42555371
42580572
42580572
42580576
42580576

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(aminomethyl)-N-cyclopropyl-N-propyl-quinuclidin-3-amine (3S)-3-(aminomethyl)-N-cycloprop…

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) 1.11 4.52 -106.62 4 3 2 35 239.407 5 ↓
Hi High (pH 8-9.5) 1.11 2.08 -41.36 3 3 1 34 238.399 5 ↓
Hi High (pH 8-9.5) 1.11 4.42 -30.25 3 3 1 34 238.399 5 ↓

Analogs

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Popular Name: (3S)-3-(cyclopropylamino)quinuclidine-3-carboxylic (3S)-3-(cyclopropylamino)quinucl…

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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) -1.55 5.55 -70.03 3 4 1 61 211.285 3 ↓
Mid Mid (pH 6-8) -1.55 4.62 -45.03 2 4 0 57 210.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(cyclopropylamino)quinuclidine-3-carboxylic (3R)-3-(cyclopropylamino)quinucl…

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) -1.55 5.48 -68.91 3 4 1 61 211.285 3 ↓
Mid Mid (pH 6-8) -1.55 4.45 -50.62 2 4 0 57 210.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(cyclopropylamino)quinuclidin-3-yl]methanol [(3S)-3-(cyclopropylamino)quinuc…

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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) 0.55 1.42 -34.85 3 3 1 37 197.302 3 ↓
Mid Mid (pH 6-8) 0.55 2.51 -94.99 4 3 2 41 198.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(cyclopropylamino)quinuclidin-3-yl]methanol [(3R)-3-(cyclopropylamino)quinuc…

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) 0.55 1.71 -34.39 3 3 1 37 197.302 3 ↓
Mid Mid (pH 6-8) 0.55 2.82 -95.03 4 3 2 41 198.31 3 ↓

Parameters Provided:

ring.id = 137894
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 = 137894 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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