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

Analogs

42598009
42598009
42598013
42598013
42598017
42598017
42598021
42598021
44685735
44685735

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[(3S)-1-propyl-3-piperidyl]ethanamine (1R)-N-[[(2S)-1-ethylpyrrolidin-…

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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) 2.91 9.33 -77.43 3 3 2 21 283.504 7 ↓
Mid Mid (pH 6-8) 2.91 8.53 -95.7 3 3 2 24 283.504 7 ↓
Mid Mid (pH 6-8) 2.91 10.33 -193.61 4 3 3 25 284.512 7 ↓

Analogs

42598009
42598009
42598013
42598013
42598017
42598017
42598021
42598021
44685735
44685735

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[(3R)-1-propyl-3-piperidyl]ethanamine (1R)-N-[[(2S)-1-ethylpyrrolidin-…

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) 2.91 9.54 -76.82 3 3 2 21 283.504 7 ↓
Mid Mid (pH 6-8) 2.91 8.65 -95.11 3 3 2 24 283.504 7 ↓
Mid Mid (pH 6-8) 2.91 10.45 -191.44 4 3 3 25 284.512 7 ↓

Analogs

42598009
42598009
42598013
42598013
42598017
42598017
42598021
42598021
44685735
44685735

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(3S)-1-ethyl-3-piperidyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]ethanamine (1R)-1-[(3S)-1-ethyl-3-piperidyl…

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) 2.40 7.89 -75.35 3 3 2 21 269.477 6 ↓
Mid Mid (pH 6-8) 2.40 6.63 -100.62 3 3 2 24 269.477 6 ↓
Mid Mid (pH 6-8) 2.40 8.97 -185.08 4 3 3 25 270.485 6 ↓

Analogs

42598009
42598009
42598013
42598013
42598017
42598017
42598021
42598021
44685735
44685735

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(3R)-1-ethyl-3-piperidyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]ethanamine (1R)-1-[(3R)-1-ethyl-3-piperidyl…

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) 2.40 8.8 -75.75 3 3 2 21 269.477 6 ↓
Mid Mid (pH 6-8) 2.40 7.9 -93.58 3 3 2 24 269.477 6 ↓
Mid Mid (pH 6-8) 2.40 9.71 -189.44 4 3 3 25 270.485 6 ↓

Analogs

42598009
42598009
42598013
42598013
42598017
42598017
42598021
42598021
44685735
44685735

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[(3R)-1-methyl-3-piperidyl]ethanamine (1S)-N-[[(2R)-1-ethylpyrrolidin-…

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) 2.03 7.99 -76.65 3 3 2 21 255.45 5 ↓
Mid Mid (pH 6-8) 2.03 6.69 -111.89 3 3 2 24 255.45 5 ↓
Mid Mid (pH 6-8) 2.03 7.19 -93.78 3 3 2 24 255.45 5 ↓

Analogs

42598009
42598009
42598013
42598013
42598017
42598017
42598021
42598021
44685735
44685735

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[(3R)-1-methyl-3-piperidyl]ethanamine (1S)-N-[[(2S)-1-ethylpyrrolidin-…

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) 2.03 7.95 -75.82 3 3 2 21 255.45 5 ↓
Mid Mid (pH 6-8) 2.03 6.72 -111.34 3 3 2 24 255.45 5 ↓
Mid Mid (pH 6-8) 2.03 7.22 -95.12 3 3 2 24 255.45 5 ↓

Parameters Provided:

ring.id = 547782
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 = 547782 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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