UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R)-1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (1R)-1-phenyl-1-([1,2,4]triazolo…

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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) 2.28 6.8 -55.36 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 2.28 6.59 -12.49 2 4 0 56 238.294 2 ↓

Analogs

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Popular Name: (1S)-1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (1S)-1-phenyl-1-([1,2,4]triazolo…

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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) 2.28 6.98 -55.84 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 2.28 6.76 -12.97 2 4 0 56 238.294 2 ↓

Analogs

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Popular Name: 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic 3-[(3-chlorophenyl)methyl]-[1,2,…

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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) 3.01 10.29 -42.5 0 5 -1 70 286.698 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.59 7.97 -18.84 2 6 0 83 282.303 4 ↓

Analogs

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Popular Name: 2-amino-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzoic 2-amino-5-([1,2,4]triazolo[4,3-a…

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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) 2.33 7.88 -66.47 2 6 -1 96 267.268 3 ↓

Analogs

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Popular Name: (S)-phenyl-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine (S)-phenyl-[6-(trifluoromethyl)-…

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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) 2.68 7.4 -49.83 3 4 1 58 293.272 3 ↓
Mid Mid (pH 6-8) 2.68 7.07 -9.4 2 4 0 56 292.264 3 ↓

Analogs

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Popular Name: (R)-phenyl-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine (R)-phenyl-[6-(trifluoromethyl)-…

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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) 2.68 7.4 -49.85 3 4 1 58 293.272 3 ↓
Mid Mid (pH 6-8) 2.68 7.08 -9.91 2 4 0 56 292.264 3 ↓

Parameters Provided:

ring.id = 30198
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 = 30198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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