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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12037723
12037723
14878772
14878772
14878773
14878773

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-2-allyl-2-hydroxy-1-methyl-pent-4-enyl]-1-(6-methoxy-4-methyl-quinazolin-2-yl)pyrrolidi (2R)-N-[(1S)-2-allyl-2-hydroxy-1…

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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) 3.83 -3.01 -16.78 2 7 0 88 424.545 9 ↓

Analogs

14878772
14878772
14878773
14878773
12037721
12037721

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-allyl-2-hydroxy-1-methyl-pent-4-enyl]-1-(6-methoxy-4-methyl-quinazolin-2-yl)pyrrolidi (2S)-N-[(1S)-2-allyl-2-hydroxy-1…

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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) 3.83 -3.41 -17.17 2 7 0 88 424.545 9 ↓

Analogs

12039714
12039714

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-ethyl-1-(6-methoxy-4-methyl-quinazolin-2-yl)pyrrolidine-2-carboxamide (2S)-N-ethyl-1-(6-methoxy-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) 2.62 -3.76 -17.39 1 6 0 67 314.389 4 ↓

Analogs

12039709
12039709

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-ethyl-1-(6-methoxy-4-methyl-quinazolin-2-yl)pyrrolidine-2-carboxamide (2R)-N-ethyl-1-(6-methoxy-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) 2.62 -4.42 -14.21 1 6 0 67 314.389 4 ↓

Analogs

12099928
12099928
12099930
12099930

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-ethyl-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)pyrrolidine-2-carboxamide (2S)-N-ethyl-1-(4-methyl-7-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) 1.44 -7.41 -26.48 1 7 0 92 362.455 4 ↓

Analogs

12099928
12099928
12099930
12099930

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-ethyl-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)pyrrolidine-2-carboxamide (2R)-N-ethyl-1-(4-methyl-7-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.44 -8.05 -21.29 1 7 0 92 362.455 4 ↓

Parameters Provided:

ring.id = 83869
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 = 83869 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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