UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11541058
11541058

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Popular Name: 3-[4-isobutyl-5-[1-methyl-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)-propyl]sulfanyl-1,2,4-triazol-3 3-[4-isobutyl-5-[1-methyl-2-oxo-…

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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) 3.64 11.52 -14.91 2 7 0 94 455.628 9 ↓

Analogs

11541057
11541057

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Popular Name: 3-[4-isobutyl-5-[1-methyl-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)-propyl]sulfanyl-1,2,4-triazol-3 3-[4-isobutyl-5-[1-methyl-2-oxo-…

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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) 3.64 11.52 -14.83 2 7 0 94 455.628 9 ↓

Analogs

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Popular Name: 1-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(1,3,3-trimethylindolin-2-ylidene)-propan-2-one 1-[(4-allyl-5-methyl-1,2,4-triaz…

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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) 3.60 3.24 -13.35 0 5 0 51 368.506 6 ↓

Parameters Provided:

ring.id = 41443
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 = 41443 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=41443&filter.purchasability=annotated

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