UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1,3-dimethyl-2,4-dioxo-N-[2-(p-tolyl)ethyl]quinazoline-6-sulfonamide 1,3-dimethyl-2,4-dioxo-N-[2-(p-t…

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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) 2.06 6.22 -16.09 1 7 0 90 387.461 5 ↓

Analogs

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Popular Name: 1,3-dimethyl-N-[(1S)-1-methyl-2-phenyl-ethyl]-2,4-dioxo-quinazoline-6-sulfonamide 1,3-dimethyl-N-[(1S)-1-methyl-2-…

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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) 1.94 6.23 -16.89 1 7 0 90 387.461 5 ↓

Analogs

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Popular Name: 1,3-dimethyl-N-[(1R)-1-methyl-2-phenyl-ethyl]-2,4-dioxo-quinazoline-6-sulfonamide 1,3-dimethyl-N-[(1R)-1-methyl-2-…

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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) 1.94 6.17 -17.8 1 7 0 90 387.461 5 ↓

Analogs

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Popular Name: N,3-dimethyl-N-[(1S)-1-methyl-2-phenyl-ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide N,3-dimethyl-N-[(1S)-1-methyl-2-…

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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) 2.12 6.02 -15.53 1 7 0 92 387.461 5 ↓
Mid Mid (pH 6-8) 2.58 4.17 -41.58 0 7 -1 95 386.453 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,3-dimethyl-N-[(1R)-1-methyl-2-phenyl-ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide N,3-dimethyl-N-[(1R)-1-methyl-2-…

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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) 2.12 6.22 -16.75 1 7 0 92 387.461 5 ↓
Mid Mid (pH 6-8) 2.58 4.4 -42.8 0 7 -1 95 386.453 5 ↓

Analogs

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Popular Name: 3-methyl-N-[(1S)-1-methyl-2-phenyl-ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide 3-methyl-N-[(1S)-1-methyl-2-phen…

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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) 1.88 4.55 -16.15 2 7 0 101 373.434 5 ↓
Hi High (pH 8-9.5) 2.33 2.68 -44.02 1 7 -1 104 372.426 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[(1R)-1-methyl-2-phenyl-ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide 3-methyl-N-[(1R)-1-methyl-2-phen…

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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) 1.88 4.44 -17.25 2 7 0 101 373.434 5 ↓
Hi High (pH 8-9.5) 2.33 2.62 -42.52 1 7 -1 104 372.426 5 ↓

Parameters Provided:

ring.id = 4222
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 = 4222 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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