UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(3-methoxyphenyl)methylcarbamoyl]-2-phenyl-ethyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide N-[1-[(3-methoxyphenyl)methylcar…

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) 3.38 7.34 -13.95 3 8 0 100 458.518 7 ↓

Analogs

9134929
9134929

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(1-methyl-3-phenyl-propyl)carbamoyl]propyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide N-[3-[(1-methyl-3-phenyl-propyl)…

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) 3.35 8.07 -16.24 3 7 0 91 408.502 8 ↓

Analogs

9134927
9134927

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(1-methyl-3-phenyl-propyl)carbamoyl]propyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide N-[3-[(1-methyl-3-phenyl-propyl)…

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) 3.35 8.06 -16.3 3 7 0 91 408.502 8 ↓

Analogs

36543718
36543718
8876838
8876838
8876854
8876854

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S)-2-[[(2R)-3-hydroxy-2-isopropyl-2H-quinoxaline-1-carbonyl]amino]-3-phenyl-propanoyl]ami (2S)-2-[[(2S)-2-[[(2R)-3-hydroxy…

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) 1.45 7.03 -50.92 3 9 -1 134 511.624 10 ↓

Analogs

36543716
36543716
8876838
8876838
8876854
8876854

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R)-2-[[(2R)-3-hydroxy-2-isopropyl-2H-quinoxaline-1-carbonyl]amino]-3-phenyl-propanoyl]ami (2S)-2-[[(2R)-2-[[(2R)-3-hydroxy…

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) 1.45 7.07 -54.11 3 9 -1 134 511.624 10 ↓

Analogs

8742497
8742497
8742499
8742499
8742500
8742500

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-[[(2S)-3-hydroxy-2-isopropyl-2H-quinoxaline-1-carbonyl]amino]-3-phenyl-propanoyl]piperidin 1-[(2S)-2-[[(2S)-3-hydroxy-2-iso…

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) 3.14 6.06 -56 2 9 -1 125 491.568 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-(3-methylisoxazol-5-yl)-2-thienyl]sulfonyl]-1,3-dihydroquinoxalin-2-one 4-[[4-(3-methylisoxazol-5-yl)-2-…

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) 2.63 1.26 -17.7 1 7 0 96 375.431 3 ↓
Ref Reference (pH 7) 2.81 3.89 -19.5 1 7 0 93 375.431 3 ↓

Analogs

38570888
38570888
16027389
16027389
16027391
16027391

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S)-2-[[(2S)-2-isopropyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenyl-propanoyl (2S)-2-[[(2S)-2-[[(2S)-2-isoprop…

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) 0.99 5.68 -52.46 3 9 -1 134 451.503 7 ↓
Ref Reference (pH 7) 0.81 8.33 -51.83 3 9 -1 131 451.503 7 ↓

Analogs

38571100
38571100

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-isopropyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-met (2S,3R)-3-hydroxy-2-[[(2S)-2-[[(…

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) -0.30 0.82 -53.38 4 10 -1 154 433.485 7 ↓

Parameters Provided:

ring.id = 6682
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 = 6682 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=6682&filter.purchasability=annotated

Embed Link to Results