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

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Popular Name: (2'R,4S)-2'-phenylspiro[chromane-4,3'-pyrrolidine] (2'R,4S)-2'-phenylspiro[chromane…

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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) 3.62 7.92 -45.49 2 2 1 26 266.364 1 ↓
Hi High (pH 8-9.5) 3.62 6.83 -3.96 1 2 0 21 265.356 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2'S,4S)-2'-phenylspiro[chromane-4,3'-pyrrolidine] (2'S,4S)-2'-phenylspiro[chromane…

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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) 3.62 7.74 -47.28 2 2 1 26 266.364 1 ↓
Hi High (pH 8-9.5) 3.62 6.35 -3.99 1 2 0 21 265.356 1 ↓

Analogs

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Popular Name: (2'R,4R)-2'-phenylspiro[chromane-4,3'-pyrrolidine] (2'R,4R)-2'-phenylspiro[chromane…

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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) 3.62 7.69 -47.1 2 2 1 26 266.364 1 ↓
Hi High (pH 8-9.5) 3.62 6.59 -4.43 1 2 0 21 265.356 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2'S,4R)-2'-phenylspiro[chromane-4,3'-pyrrolidine] (2'S,4R)-2'-phenylspiro[chromane…

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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) 3.62 7.66 -44.57 2 2 1 26 266.364 1 ↓
Hi High (pH 8-9.5) 3.62 6.29 -4.61 1 2 0 21 265.356 1 ↓

Analogs

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Popular Name: (2'R,4S)-2'-benzylspiro[chromane-4,3'-pyrrolidine] (2'R,4S)-2'-benzylspiro[chromane…

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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) 3.83 8.92 -45.31 2 2 1 26 280.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2'S,4S)-2'-benzylspiro[chromane-4,3'-pyrrolidine] (2'S,4S)-2'-benzylspiro[chromane…

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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) 3.83 8.66 -48.48 2 2 1 26 280.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2'R,4R)-2'-benzylspiro[chromane-4,3'-pyrrolidine] (2'R,4R)-2'-benzylspiro[chromane…

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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) 3.83 8.88 -44.7 2 2 1 26 280.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2'S,4R)-2'-benzylspiro[chromane-4,3'-pyrrolidine] (2'S,4R)-2'-benzylspiro[chromane…

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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) 3.83 8.9 -43.61 2 2 1 26 280.391 2 ↓

Analogs

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Popular Name: (2'R,4S)-2'-isobutylspiro[chromane-4,3'-pyrrolidine] (2'R,4S)-2'-isobutylspiro[chroma…

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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) 3.68 7.63 -43.39 2 2 1 26 246.374 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2'S,4S)-2'-isobutylspiro[chromane-4,3'-pyrrolidine] (2'S,4S)-2'-isobutylspiro[chroma…

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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) 3.68 6.94 -46.79 2 2 1 26 246.374 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2'R,4R)-2'-isobutylspiro[chromane-4,3'-pyrrolidine] (2'R,4R)-2'-isobutylspiro[chroma…

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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) 3.68 7.23 -45.25 2 2 1 26 246.374 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2'S,4R)-2'-isobutylspiro[chromane-4,3'-pyrrolidine] (2'S,4R)-2'-isobutylspiro[chroma…

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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) 3.68 7.2 -44.1 2 2 1 26 246.374 2 ↓

Parameters Provided:

ring.id = 139455
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 = 139455 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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