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

Analogs

8980726
8980726
20219715
20219715
20219716
20219716
20280775
20280775
20280778
20280778

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Popular Name: methyl 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) 1.02 3.98 -49.31 1 10 -1 128 456.475 8 ↓
Mid Mid (pH 6-8) 1.02 6.41 -50.23 3 10 1 127 458.491 8 ↓
Mid Mid (pH 6-8) 0.44 6.83 -53.07 2 10 1 123 458.491 8 ↓

Analogs

20219715
20219715
20219716
20219716
20280775
20280775
20280778
20280778
8980713
8980713

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Popular Name: methyl 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) 1.02 5.1 -60.2 1 10 -1 128 456.475 8 ↓
Mid Mid (pH 6-8) 1.02 7.36 -74.4 2 10 0 129 457.483 8 ↓
Lo Low (pH 4.5-6) 1.02 4.2 -16.84 2 10 0 125 457.483 8 ↓

Analogs

41534994
41534994

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Popular Name: (2S)-2-(2-furyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-pyrrol (2S)-2-(2-furyl)-4-hydroxy-1-(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) 1.17 4.28 -54.56 1 8 -1 102 412.466 6 ↓
Mid Mid (pH 6-8) 1.17 6.55 -62.93 2 8 0 103 413.474 6 ↓
Lo Low (pH 4.5-6) 1.17 5.79 -47.67 3 8 1 100 414.482 6 ↓

Analogs

41534990
41534990

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Popular Name: (2R)-2-(2-furyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-pyrrol (2R)-2-(2-furyl)-4-hydroxy-1-(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) 1.17 5.15 -64.82 1 8 -1 102 412.466 6 ↓
Mid Mid (pH 6-8) 1.17 7.41 -74.35 2 8 0 103 413.474 6 ↓
Lo Low (pH 4.5-6) 1.17 6.52 -48.96 3 8 1 100 414.482 6 ↓

Analogs

41535004
41535004

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Popular Name: (2S)-4-hydroxy-2-(5-methyl-2-furyl)-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)- (2S)-4-hydroxy-2-(5-methyl-2-fur…

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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) 1.40 5.38 -51.65 1 8 -1 102 426.493 6 ↓
Mid Mid (pH 6-8) 1.40 7.64 -57.97 2 8 0 103 427.501 6 ↓
Lo Low (pH 4.5-6) 1.40 6.89 -44.17 3 8 1 100 428.509 6 ↓

Analogs

41534999
41534999

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-2-(5-methyl-2-furyl)-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)- (2R)-4-hydroxy-2-(5-methyl-2-fur…

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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) 1.40 5.07 -55.5 1 8 -1 102 426.493 6 ↓
Mid Mid (pH 6-8) 1.40 7.34 -63.73 2 8 0 103 427.501 6 ↓
Lo Low (pH 4.5-6) 1.40 6.58 -47.61 3 8 1 100 428.509 6 ↓

Parameters Provided:

ring.id = 6393
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 = 6393 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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