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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: [(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-triazol-4-yl)methanone [(2S)-2-(2,5-dimethoxyphenyl)pyr…

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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) 1.49 3.91 -11.71 1 7 0 80 302.334 4 ↓
Mid Mid (pH 6-8) 1.49 3.89 -46.36 0 7 -1 79 301.326 4 ↓

Analogs

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Popular Name: [(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-triazol-4-yl)methanone [(2R)-2-(2,5-dimethoxyphenyl)pyr…

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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) 1.49 3.97 -11.66 1 7 0 80 302.334 4 ↓
Mid Mid (pH 6-8) 1.49 3.95 -46.13 0 7 -1 79 301.326 4 ↓

Analogs

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Popular Name: [(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-(1H-triazol-4-yl)methanone [(2S)-2-(3-chlorophenyl)pyrrolid…

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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) 2.10 5.85 -8.79 1 5 0 62 276.727 2 ↓
Hi High (pH 8-9.5) 2.10 5.83 -40.84 0 5 -1 60 275.719 2 ↓

Analogs

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Popular Name: [(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-(1H-triazol-4-yl)methanone [(2R)-2-(3-chlorophenyl)pyrrolid…

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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) 2.10 5.85 -8.77 1 5 0 62 276.727 2 ↓
Hi High (pH 8-9.5) 2.10 5.83 -40.82 0 5 -1 60 275.719 2 ↓

Analogs

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Popular Name: [(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-(1H-triazol-4-yl)methanone [(2S)-2-(3,4-dichlorophenyl)pyrr…

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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) 2.73 6.32 -9.03 1 5 0 62 311.172 2 ↓
Hi High (pH 8-9.5) 2.73 6.3 -39.81 0 5 -1 60 310.164 2 ↓

Analogs

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Popular Name: [(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-(1H-triazol-4-yl)methanone [(2R)-2-(3,4-dichlorophenyl)pyrr…

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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) 2.73 6.31 -9.03 1 5 0 62 311.172 2 ↓
Hi High (pH 8-9.5) 2.73 6.29 -39.75 0 5 -1 60 310.164 2 ↓

Analogs

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Popular Name: [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(1H-triazol-4-yl)methanone [(2S)-2-(2-chlorophenyl)pyrrolid…

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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) 2.08 5.69 -8.29 1 5 0 62 276.727 2 ↓
Hi High (pH 8-9.5) 2.08 5.67 -39.14 0 5 -1 60 275.719 2 ↓

Analogs

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Popular Name: [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(1H-triazol-4-yl)methanone [(2R)-2-(2-chlorophenyl)pyrrolid…

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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) 2.08 5.74 -8.42 1 5 0 62 276.727 2 ↓
Hi High (pH 8-9.5) 2.08 5.72 -39.13 0 5 -1 60 275.719 2 ↓

Analogs

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Popular Name: [(2S)-2-(o-tolyl)pyrrolidin-1-yl]-(1H-triazol-4-yl)methanone [(2S)-2-(o-tolyl)pyrrolidin-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) 1.85 5.78 -9.09 1 5 0 62 256.309 2 ↓
Hi High (pH 8-9.5) 1.85 5.76 -42.13 0 5 -1 60 255.301 2 ↓

Analogs

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Popular Name: [(2R)-2-(o-tolyl)pyrrolidin-1-yl]-(1H-triazol-4-yl)methanone [(2R)-2-(o-tolyl)pyrrolidin-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) 1.85 5.8 -8.99 1 5 0 62 256.309 2 ↓
Hi High (pH 8-9.5) 1.85 5.78 -41.73 0 5 -1 60 255.301 2 ↓

Analogs

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Popular Name: [(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-(1H-triazol-4-yl)methanone [(2S)-2-(3-bromophenyl)pyrrolidi…

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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) 2.23 5.95 -8.68 1 5 0 62 321.178 2 ↓
Hi High (pH 8-9.5) 2.23 5.93 -40.71 0 5 -1 60 320.17 2 ↓

Analogs

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Popular Name: [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-(1H-triazol-4-yl)methanone [(2R)-2-(3-bromophenyl)pyrrolidi…

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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) 2.23 5.95 -8.66 1 5 0 62 321.178 2 ↓
Hi High (pH 8-9.5) 2.23 5.93 -40.71 0 5 -1 60 320.17 2 ↓

Analogs

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Popular Name: [(2S)-2-(4-bromophenyl)pyrrolidin-1-yl]-(1H-triazol-4-yl)methanone [(2S)-2-(4-bromophenyl)pyrrolidi…

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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) 2.26 5.95 -8.28 1 5 0 62 321.178 2 ↓
Hi High (pH 8-9.5) 2.26 5.93 -38.54 0 5 -1 60 320.17 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(4-bromophenyl)pyrrolidin-1-yl]-(1H-triazol-4-yl)methanone [(2R)-2-(4-bromophenyl)pyrrolidi…

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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) 2.26 5.95 -8.28 1 5 0 62 321.178 2 ↓
Hi High (pH 8-9.5) 2.26 5.93 -38.55 0 5 -1 60 320.17 2 ↓

Parameters Provided:

ring.id = 426173
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 = 426173 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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