UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-ethyl-1-methyl-5-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4-triazole 3-ethyl-1-methyl-5-[[(2S)-pyrrol…

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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) 0.58 4.92 -41.57 2 4 1 47 195.29 3 ↓

Analogs

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Popular Name: 3-ethyl-1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]-1,2,4-triazole 3-ethyl-1-methyl-5-[[(2R)-pyrrol…

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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) 0.58 4.88 -37.93 2 4 1 47 195.29 3 ↓

Analogs

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Popular Name: 1-methyl-3-propyl-5-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4-triazole 1-methyl-3-propyl-5-[[(2S)-pyrro…

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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) 1.08 5.69 -41.44 2 4 1 47 209.317 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-propyl-5-[[(2R)-pyrrolidin-2-yl]methyl]-1,2,4-triazole 1-methyl-3-propyl-5-[[(2R)-pyrro…

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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) 1.08 5.64 -37.85 2 4 1 47 209.317 4 ↓

Analogs

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Popular Name: 3-isopropyl-1-methyl-5-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4-triazole 3-isopropyl-1-methyl-5-[[(2S)-py…

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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) 1.06 5.37 -41.4 2 4 1 47 209.317 3 ↓

Analogs

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Popular Name: 3-isopropyl-1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]-1,2,4-triazole 3-isopropyl-1-methyl-5-[[(2R)-py…

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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) 1.06 5.32 -37.66 2 4 1 47 209.317 3 ↓

Analogs

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Popular Name: 3-tert-butyl-1-methyl-5-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4-triazole 3-tert-butyl-1-methyl-5-[[(2S)-p…

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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) 1.73 5.92 -41.09 2 4 1 47 223.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]-1,2,4-triazole 3-tert-butyl-1-methyl-5-[[(2R)-p…

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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) 1.73 5.88 -37.82 2 4 1 47 223.344 3 ↓

Analogs

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Popular Name: 3-isobutyl-1-methyl-5-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4-triazole 3-isobutyl-1-methyl-5-[[(2S)-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) 1.32 6.21 -41.03 2 4 1 47 223.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isobutyl-1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]-1,2,4-triazole 3-isobutyl-1-methyl-5-[[(2R)-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) 1.32 6.16 -37.96 2 4 1 47 223.344 4 ↓

Parameters Provided:

ring.id = 143457
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 = 143457 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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