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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8S)-6-(4-methylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6R,8S)-6-(4-methylpiperazine…

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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) 2.02 3.48 -13.8 1 6 0 56 354.454 1 ↓
Mid Mid (pH 6-8) 2.02 5.83 -50.6 2 6 1 57 355.462 1 ↓
Mid Mid (pH 6-8) 2.02 5.69 -38.94 2 6 1 57 355.462 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8S)-6-(4-methylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6S,8S)-6-(4-methylpiperazine…

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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) 2.02 2.19 -7.4 1 6 0 56 354.454 1 ↓
Mid Mid (pH 6-8) 2.02 4.55 -45.99 2 6 1 57 355.462 1 ↓
Mid Mid (pH 6-8) 2.02 4.42 -25.43 2 6 1 57 355.462 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8R)-6-(4-methylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6R,8R)-6-(4-methylpiperazine…

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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) 2.02 2.76 -16.43 1 6 0 56 354.454 1 ↓
Mid Mid (pH 6-8) 2.02 5.1 -48.68 2 6 1 57 355.462 1 ↓
Mid Mid (pH 6-8) 2.02 4.9 -34.44 2 6 1 57 355.462 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8R)-6-(4-methylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2' (5R,6S,8R)-6-(4-methylpiperazine…

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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) 2.02 2.47 -7.38 1 6 0 56 354.454 1 ↓
Mid Mid (pH 6-8) 2.02 4.77 -43.5 2 6 1 57 355.462 1 ↓
Mid Mid (pH 6-8) 2.02 4.73 -28.73 2 6 1 57 355.462 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8S)-6-(4-ethylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'- (5R,6R,8S)-6-(4-ethylpiperazine-…

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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) 2.40 6.49 -38.94 2 6 1 57 369.489 2 ↓
Hi High (pH 8-9.5) 2.40 4.27 -13.66 1 6 0 56 368.481 2 ↓
Mid Mid (pH 6-8) 2.40 6.48 -49.38 2 6 1 57 369.489 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8S)-6-(4-ethylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'- (5R,6S,8S)-6-(4-ethylpiperazine-…

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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) 2.40 5.21 -25.38 2 6 1 57 369.489 2 ↓
Hi High (pH 8-9.5) 2.40 2.99 -7.14 1 6 0 56 368.481 2 ↓
Mid Mid (pH 6-8) 2.40 5.21 -44.26 2 6 1 57 369.489 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,8R)-6-(4-ethylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'- (5R,6R,8R)-6-(4-ethylpiperazine-…

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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) 2.40 5.7 -34.35 2 6 1 57 369.489 2 ↓
Hi High (pH 8-9.5) 2.40 3.54 -16.25 1 6 0 56 368.481 2 ↓
Mid Mid (pH 6-8) 2.40 5.76 -47.45 2 6 1 57 369.489 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,8R)-6-(4-ethylpiperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indoline]-2'- (5R,6S,8R)-6-(4-ethylpiperazine-…

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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) 2.40 5.52 -28.65 2 6 1 57 369.489 2 ↓
Hi High (pH 8-9.5) 2.40 3.26 -7.2 1 6 0 56 368.481 2 ↓
Mid Mid (pH 6-8) 2.40 5.43 -41.83 2 6 1 57 369.489 2 ↓

Parameters Provided:

ring.id = 69929
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 = 69929 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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