UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20896540
20896540
28698290
28698290
28698292
28698292
3392164
3392164
3392167
3392167

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Popular Name: (2R)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-tert-butylphenyl)propan-1-one (2R)-2-[(4-benzyl-5-methyl-1,2,4…

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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) 5.28 15.07 -11.3 0 4 0 48 393.556 7 ↓

Analogs

28698290
28698290
28698292
28698292
3392164
3392164
3392167
3392167

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Popular Name: (2S)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-tert-butylphenyl)propan-1-one (2S)-2-[(4-benzyl-5-methyl-1,2,4…

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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) 5.28 15.06 -11.29 0 4 0 48 393.556 7 ↓

Analogs

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Popular Name: 2-[4-benzyl-5-[2-(4-hydroxyphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetic 2-[4-benzyl-5-[2-(4-hydroxypheny…

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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) 2.17 8.49 -53.23 1 7 -1 108 382.421 8 ↓

Analogs

1332989
1332989
2619677
2619677
421393
421393

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Popular Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)ethanone 2-[(4-benzyl-5-methyl-1,2,4-tria…

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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) 3.66 12.66 -12.11 0 4 0 48 337.448 6 ↓

Analogs

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Popular Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-bromo-4-methoxy-phenyl)ethanone 2-[(4-benzyl-5-methyl-1,2,4-tria…

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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) 4.00 11.97 -13.88 0 5 0 57 432.343 7 ↓

Parameters Provided:

ring.id = 80182
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 = 80182 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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