UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36757689
36757689
16957827
16957827

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Popular Name: 5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol 5-Methyl-[1,2,4]triazolo[1,5-a]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) 0.19 3.57 -43.47 0 5 -1 66 149.133 0 ↓
Ref Reference (pH 7) -0.27 5.01 -18.09 1 5 0 63 150.141 0 ↓

Analogs

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Popular Name: 4-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one 4-[(2R)-2-(2-fluorophenyl)-2-hyd…

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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) 0.73 7.55 -18.52 1 6 0 72 288.282 3 ↓

Analogs

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Popular Name: 4-[(2S)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one 4-[(2S)-2-(2-fluorophenyl)-2-hyd…

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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) 0.73 7.34 -18.43 1 6 0 72 288.282 3 ↓

Analogs

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Popular Name: 4-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxy-ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-on 4-[(2R)-2-[4-(difluoromethoxy)ph…

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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) 1.22 7.06 -23.97 1 7 0 82 336.298 5 ↓

Analogs

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Popular Name: 4-[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidi 4-[(2S)-3-(2-tert-butyl-4-methox…

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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) 2.52 9.05 -25.2 1 8 0 91 386.452 7 ↓

Parameters Provided:

ring.id = 42374
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 = 42374 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=42374&filter.purchasability=annotated

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