UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (10bR)-1-(4-chlorophenyl)-4-methyl-3,6-bis(5-methylisoxazol-3-yl)-2-thioxo-10bH-pyrimido[5,4-c]quino (10bR)-1-(4-chlorophenyl)-4-meth…

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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) 5.83 15.52 -15.29 0 8 0 79 517.998 3 ↓

Analogs

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Popular Name: (10bS)-1-(4-chlorophenyl)-4-methyl-3,6-bis(5-methylisoxazol-3-yl)-2-thioxo-10bH-pyrimido[5,4-c]quino (10bS)-1-(4-chlorophenyl)-4-meth…

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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) 5.83 14.56 -18.69 0 8 0 79 517.998 3 ↓

Analogs

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Popular Name: (10bR)-4-methyl-3,6-bis(5-methylisoxazol-3-yl)-1-phenyl-2-thioxo-10bH-pyrimido[5,4-c]quinolin-5-one (10bR)-4-methyl-3,6-bis(5-methyl…

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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) 5.15 15.03 -17.04 0 8 0 79 483.553 3 ↓

Analogs

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Popular Name: (10bS)-4-methyl-3,6-bis(5-methylisoxazol-3-yl)-1-phenyl-2-thioxo-10bH-pyrimido[5,4-c]quinolin-5-one (10bS)-4-methyl-3,6-bis(5-methyl…

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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) 5.15 14.06 -20.47 0 8 0 79 483.553 3 ↓

Analogs

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Popular Name: (10bR)-4-methyl-3,6-bis(5-methylisoxazol-3-yl)-1-(p-tolyl)-2-thioxo-10bH-pyrimido[5,4-c]quinolin-5-o (10bR)-4-methyl-3,6-bis(5-methyl…

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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) 5.60 14.69 -19.97 0 8 0 79 497.58 3 ↓

Analogs

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Popular Name: (10bS)-4-methyl-3,6-bis(5-methylisoxazol-3-yl)-1-(p-tolyl)-2-thioxo-10bH-pyrimido[5,4-c]quinolin-5-o (10bS)-4-methyl-3,6-bis(5-methyl…

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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) 5.60 14.74 -20.05 0 8 0 79 497.58 3 ↓

Analogs

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Popular Name: (10bR)-1-(3-methoxyphenyl)-4-methyl-3,6-bis(5-methylisoxazol-3-yl)-2-thioxo-10bH-pyrimido[5,4-c]quin (10bR)-1-(3-methoxyphenyl)-4-met…

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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) 5.18 14.32 -17.59 0 9 0 88 513.579 4 ↓

Analogs

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Popular Name: (10bS)-1-(3-methoxyphenyl)-4-methyl-3,6-bis(5-methylisoxazol-3-yl)-2-thioxo-10bH-pyrimido[5,4-c]quin (10bS)-1-(3-methoxyphenyl)-4-met…

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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) 5.18 13.36 -22.67 0 9 0 88 513.579 4 ↓

Analogs

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Popular Name: (10bR)-1-(2-chlorophenyl)-4-methyl-3,6-bis(5-methylisoxazol-3-yl)-2-thioxo-10bH-pyrimido[5,4-c]quino (10bR)-1-(2-chlorophenyl)-4-meth…

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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) 5.78 15.79 -17.32 0 8 0 79 517.998 3 ↓

Analogs

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Popular Name: (10bS)-1-(2-chlorophenyl)-4-methyl-3,6-bis(5-methylisoxazol-3-yl)-2-thioxo-10bH-pyrimido[5,4-c]quino (10bS)-1-(2-chlorophenyl)-4-meth…

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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) 5.78 14.75 -22.53 0 8 0 79 517.998 3 ↓

Analogs

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Popular Name: (10bR)-1-(4-methoxyphenyl)-4-methyl-3,6-bis(5-methylisoxazol-3-yl)-2-thioxo-10bH-pyrimido[5,4-c]quin (10bR)-1-(4-methoxyphenyl)-4-met…

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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) 5.21 14.31 -16.92 0 9 0 88 513.579 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10bS)-1-(4-methoxyphenyl)-4-methyl-3,6-bis(5-methylisoxazol-3-yl)-2-thioxo-10bH-pyrimido[5,4-c]quin (10bS)-1-(4-methoxyphenyl)-4-met…

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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) 5.21 13.36 -19.99 0 9 0 88 513.579 4 ↓

Analogs

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Popular Name: (10bR)-1-(4-bromophenyl)-4-methyl-3,6-bis(5-methylisoxazol-3-yl)-2-thioxo-10bH-pyrimido[5,4-c]quinol (10bR)-1-(4-bromophenyl)-4-methy…

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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) 5.96 15.63 -15.22 0 8 0 79 562.449 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10bS)-1-(4-bromophenyl)-4-methyl-3,6-bis(5-methylisoxazol-3-yl)-2-thioxo-10bH-pyrimido[5,4-c]quinol (10bS)-1-(4-bromophenyl)-4-methy…

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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) 5.96 14.67 -18.6 0 8 0 79 562.449 3 ↓

Parameters Provided:

ring.id = 365906
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 = 365906 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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