UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

60220914
60220914

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Popular Name: (2S)-2-dodecoxy-3-(2-fluorophenyl)-3-oxo-N-phenyl-2-[5-(trifluoromethyl)tetrazol-5-yl]propanamide (2S)-2-dodecoxy-3-(2-fluoropheny…

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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) 8.37 13.06 -8.49 1 8 0 105 577.623 18 ↓

Analogs

60220911
60220911

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Popular Name: (2R)-2-dodecoxy-3-(2-fluorophenyl)-3-oxo-N-phenyl-2-[5-(trifluoromethyl)tetrazol-5-yl]propanamide (2R)-2-dodecoxy-3-(2-fluoropheny…

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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) 8.37 13.08 -8.76 1 8 0 105 577.623 18 ↓

Analogs

60220953
60220953

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Popular Name: (2S)-3-(2-methoxyphenyl)-2-(5-methyltetrazol-5-yl)-3-oxo-N-phenyl-propanamide (2S)-3-(2-methoxyphenyl)-2-(5-me…

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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) 2.08 4.11 -12.19 1 8 0 105 351.366 6 ↓
Hi High (pH 8-9.5) 3.11 3.81 -55.95 1 8 -1 111 350.358 5 ↓

Analogs

60220950
60220950

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Popular Name: (2R)-3-(2-methoxyphenyl)-2-(5-methyltetrazol-5-yl)-3-oxo-N-phenyl-propanamide (2R)-3-(2-methoxyphenyl)-2-(5-me…

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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) 2.08 4.5 -12.03 1 8 0 105 351.366 6 ↓

Parameters Provided:

ring.id = 198594
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 = 198594 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=198594&filter.purchasability=annotated

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