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

Analogs

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Popular Name: (4-cyclopropylpiperazin-1-yl)-[(3S)-3-ethyl-3-piperidyl]methanone (4-cyclopropylpiperazin-1-yl)-[(…

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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) 0.71 6.22 -106.31 3 4 2 41 267.417 3 ↓
Mid Mid (pH 6-8) 0.71 4.02 -43.87 2 4 1 40 266.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyclopropylpiperazin-1-yl)-[(3R)-3-ethyl-3-piperidyl]methanone (4-cyclopropylpiperazin-1-yl)-[(…

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) 0.71 6.22 -100.24 3 4 2 41 267.417 3 ↓
Mid Mid (pH 6-8) 0.71 4 -43.64 2 4 1 40 266.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyclopropylpiperazin-1-yl)-[(3S)-3-methyl-3-piperidyl]methanone (4-cyclopropylpiperazin-1-yl)-[(…

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) 0.37 5.88 -84.51 3 4 2 41 253.39 2 ↓
Mid Mid (pH 6-8) 0.37 3.49 -34.27 2 4 1 40 252.382 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyclopropylpiperazin-1-yl)-[(3R)-3-methyl-3-piperidyl]methanone (4-cyclopropylpiperazin-1-yl)-[(…

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) 0.37 5.69 -100.4 3 4 2 41 253.39 2 ↓
Mid Mid (pH 6-8) 0.37 3.5 -43.56 2 4 1 40 252.382 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyclopropylpiperazin-1-yl)-[(3S)-3-propyl-3-piperidyl]methanone (4-cyclopropylpiperazin-1-yl)-[(…

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) 1.27 6.98 -106.96 3 4 2 41 281.444 4 ↓
Mid Mid (pH 6-8) 1.27 4.78 -44.08 2 4 1 40 280.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyclopropylpiperazin-1-yl)-[(3R)-3-propyl-3-piperidyl]methanone (4-cyclopropylpiperazin-1-yl)-[(…

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) 1.27 6.98 -100.99 3 4 2 41 281.444 4 ↓
Mid Mid (pH 6-8) 1.27 4.76 -43.87 2 4 1 40 280.436 4 ↓

Parameters Provided:

ring.id = 292435
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 = 292435 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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