UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[3-[3,3-dioxo-7-(3-phenylpropylsulfanyl)-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]oct-6-en-8-yl]phenyl] 1-[3-[3,3-dioxo-7-(3-phenylpropy…

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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) 3.77 9.62 -17.99 0 5 0 67 428.579 7 ↓

Analogs

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Popular Name: 6-(4-fluorophenyl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]oct-7-en 6-(4-fluorophenyl)-7-[2-(4-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) 3.60 7.72 -13.78 0 5 0 59 420.531 6 ↓

Analogs

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Popular Name: 6-(4-fluorophenyl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]oct-7-en 6-(4-fluorophenyl)-7-[2-(4-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) 3.60 6.69 -14.63 0 5 0 59 420.531 6 ↓

Analogs

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Popular Name: 6-(4-fluorophenyl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]oct-7-en 6-(4-fluorophenyl)-7-[2-(4-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) 3.60 -5.44 -14.76 0 5 0 58 420.531 6 ↓

Analogs

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Popular Name: 6-(4-fluorophenyl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]oct-7-en 6-(4-fluorophenyl)-7-[2-(4-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) 3.60 -4.92 -15.9 0 5 0 58 420.531 6 ↓

Analogs

9303976
9303976
9303977
9303977
9303978
9303978

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Popular Name: (3aR,6aS)-3-allyl-2-[(4-bromophenyl)methylsulfanyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole (3aR,6aS)-3-allyl-2-[(4-bromophe…

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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) 2.93 -6.68 -13.9 0 4 0 50 401.351 5 ↓

Analogs

13629644
13629644
13629645
13629645
13629647
13629647

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Popular Name: (3aS,6aR)-1-allyl-2-[(4-methoxyphenyl)methylsulfanyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole (3aS,6aR)-1-allyl-2-[(4-methoxyp…

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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 -5.9 -15.24 0 5 0 59 352.481 6 ↓

Analogs

13682338
13682338
13682341
13682341
13682344
13682344

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Popular Name: (3aR,6aS)-1-[2-(4-fluorophenyl)ethyl]-2-[(4-methoxyphenyl)methylsulfanyl]-3a,4,6,6a-tetrahydrothieno (3aR,6aS)-1-[2-(4-fluorophenyl)e…

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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) 3.50 -5.21 -17.91 0 5 0 59 434.558 7 ↓

Analogs

11999351
11999351

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Popular Name: (3aS,6aR)-1-[2-(4-fluorophenyl)ethyl]-2-[(4-methoxyphenyl)methylsulfanyl]-3a,4,6,6a-tetrahydrothieno (3aS,6aR)-1-[2-(4-fluorophenyl)e…

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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) 3.50 8.23 -15.08 0 5 0 59 434.558 7 ↓

Analogs

11999351
11999351

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Popular Name: (3aR,6aR)-1-[2-(4-fluorophenyl)ethyl]-2-[(4-methoxyphenyl)methylsulfanyl]-3a,4,6,6a-tetrahydrothieno (3aR,6aR)-1-[2-(4-fluorophenyl)e…

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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) 3.50 7.67 -15.04 0 5 0 59 434.558 7 ↓

Analogs

11999351
11999351

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Popular Name: (3aS,6aS)-1-[2-(4-fluorophenyl)ethyl]-2-[(4-methoxyphenyl)methylsulfanyl]-3a,4,6,6a-tetrahydrothieno (3aS,6aS)-1-[2-(4-fluorophenyl)e…

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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) 3.50 7.71 -15.16 0 5 0 59 434.558 7 ↓

Analogs

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Popular Name: 2-[[(3aR,6aS)-5,5-dioxo-3-phenethyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-yl]sulfanyl]-N-(3-ch 2-[[(3aR,6aS)-5,5-dioxo-3-phenet…

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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) 3.14 7.5 -18.95 1 6 0 79 464.012 7 ↓

Analogs

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Popular Name: 2-[[(3aR,6aR)-5,5-dioxo-3-phenethyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-yl]sulfanyl]-N-(3-ch 2-[[(3aR,6aR)-5,5-dioxo-3-phenet…

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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) 3.14 7.12 -18.1 1 6 0 79 464.012 7 ↓

Analogs

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Popular Name: 2-[[(3aS,6aS)-5,5-dioxo-3-phenethyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-yl]sulfanyl]-N-(3-ch 2-[[(3aS,6aS)-5,5-dioxo-3-phenet…

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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) 3.14 7.12 -18.18 1 6 0 79 464.012 7 ↓

Analogs

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Popular Name: 2-[[(3aS,6aR)-5,5-dioxo-3-phenethyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-yl]sulfanyl]-N-(3-ch 2-[[(3aS,6aR)-5,5-dioxo-3-phenet…

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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) 3.14 7.63 -16.12 1 6 0 79 464.012 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.62 5.99 -16.25 0 6 0 76 433.349 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.62 5.05 -13.78 0 6 0 76 433.349 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.62 5.08 -13.89 0 6 0 76 433.349 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.62 6 -16.21 0 6 0 76 433.349 6 ↓

Parameters Provided:

ring.id = 6992
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 = 6992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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