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

Analogs

41534338
41534338

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Popular Name: (2S)-1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H- (2S)-1-[3-(dimethylamino)propyl]…

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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) 1.60 7.85 -67.85 2 7 0 94 385.464 7 ↓
Lo Low (pH 4.5-6) 1.60 7.09 -45.64 3 7 1 91 386.472 7 ↓

Analogs

41534335
41534335

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Popular Name: (2R)-1-[3-(dimethylamino)propyl]-2-(2-furyl)-4-hydroxy-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H- (2R)-1-[3-(dimethylamino)propyl]…

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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) 1.60 8.74 -80.98 2 7 0 94 385.464 7 ↓
Lo Low (pH 4.5-6) 1.60 7.85 -47.94 3 7 1 91 386.472 7 ↓

Analogs

41534348
41534348

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Popular Name: (2S)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(5-methyl-2-furyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carb (2S)-1-[3-(dimethylamino)propyl]…

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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) 1.82 8.98 -64.66 2 7 0 94 399.491 7 ↓
Lo Low (pH 4.5-6) 1.82 8.22 -43.95 3 7 1 91 400.499 7 ↓

Analogs

25107069
25107069
25107076
25107076
41534342
41534342

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Popular Name: (2R)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(5-methyl-2-furyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carb (2R)-1-[3-(dimethylamino)propyl]…

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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) 1.82 8.64 -67.95 2 7 0 94 399.491 7 ↓
Lo Low (pH 4.5-6) 1.82 7.88 -45.2 3 7 1 91 400.499 7 ↓

Analogs

41535707
41535707
41543655
41543655
41543658
41543658
41543874
41543874
41543877
41543877

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Popular Name: (2S)-1-(2-dimethylaminoethyl)-2-(2-furyl)-4-hydroxy-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-pyr (2S)-1-(2-dimethylaminoethyl)-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) 1.33 7.08 -64.24 2 7 0 94 371.437 6 ↓
Lo Low (pH 4.5-6) 1.33 6.32 -46.07 3 7 1 91 372.445 6 ↓

Analogs

41543655
41543655
41543658
41543658
41543874
41543874
41543877
41543877
41535702
41535702

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2-dimethylaminoethyl)-2-(2-furyl)-4-hydroxy-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-pyr (2R)-1-(2-dimethylaminoethyl)-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) 1.33 7.95 -75.94 2 7 0 94 371.437 6 ↓
Lo Low (pH 4.5-6) 1.33 7.06 -47.83 3 7 1 91 372.445 6 ↓

Analogs

41535718
41535718
41543661
41543661
41543664
41543664
41543880
41543880
41543883
41543883

Draw Identity 99% 90% 80% 70%

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

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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) 1.55 8.19 -59.06 2 7 0 94 385.464 6 ↓
Lo Low (pH 4.5-6) 1.55 7.44 -43.13 3 7 1 91 386.472 6 ↓

Analogs

41543661
41543661
41543664
41543664
41543880
41543880
41543883
41543883
25107069
25107069

Draw Identity 99% 90% 80% 70%

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

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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) 1.55 7.89 -64.18 2 7 0 94 385.464 6 ↓
Lo Low (pH 4.5-6) 1.55 7.13 -45.81 3 7 1 91 386.472 6 ↓

Parameters Provided:

ring.id = 545294
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 = 545294 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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