UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-benzooxazol-2-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-prop-2-en-1-one 3-benzooxazol-2-yl-1-[4-(2-metho…

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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) 3.46 7.04 -12.03 0 6 0 59 363.417 4 ↓

Analogs

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Popular Name: 3-benzooxazol-2-yl-1-[4-(4-fluorophenyl)piperazin-1-yl]-prop-2-en-1-one 3-benzooxazol-2-yl-1-[4-(4-fluor…

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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) 3.62 7.15 -13.78 0 5 0 50 351.381 3 ↓

Analogs

26029773
26029773

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Popular Name: 3-benzooxazol-2-yl-1-[4-(3-chlorophenyl)piperazin-1-yl]-prop-2-en-1-one 3-benzooxazol-2-yl-1-[4-(3-chlor…

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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) 4.11 6.67 -11.65 0 5 0 50 367.836 3 ↓

Analogs

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Popular Name: 3-benzooxazol-2-yl-1-[4-(2-chlorophenyl)piperazin-1-yl]-prop-2-en-1-one 3-benzooxazol-2-yl-1-[4-(2-chlor…

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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) 4.09 7.16 -10.65 0 5 0 50 367.836 3 ↓

Analogs

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Popular Name: 3-benzooxazol-2-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-prop-2-en-1-one 3-benzooxazol-2-yl-1-[4-[3-(trif…

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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) 4.33 8.08 -14.21 0 5 0 50 401.388 4 ↓

Analogs

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Popular Name: 3-benzooxazol-2-yl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-prop-2-en-1-one 3-benzooxazol-2-yl-1-[4-(2,3-dim…

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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) 4.26 8.22 -11.76 0 5 0 50 361.445 3 ↓

Analogs

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Popular Name: 3-benzooxazol-2-yl-1-[4-(4-methoxyphenyl)piperazin-1-yl]-prop-2-en-1-one 3-benzooxazol-2-yl-1-[4-(4-metho…

Find On: PubMed — Wikipedia — Google

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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) 3.51 -3.12 -12.27 0 6 0 58 363.417 4 ↓

Parameters Provided:

ring.id = 4976
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 = 4976 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=4976&filter.purchasability=annotated

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