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

Analogs

36216096
36216096
49020762
49020762

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropylmethyl(dihydroxy)spiro[BLAH-BLAH,5'-furan]-2'-one cyclopropylmethyl(dihydroxy)spir…

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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) 2.48 7.32 -111 3 6 0 80 396.463 2 ↓
Hi High (pH 8-9.5) 2.48 5.68 -16.78 2 6 0 79 395.455 2 ↓

Analogs

49020762
49020762
36216094
36216094

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropylmethyl(dihydroxy)spiro[BLAH-BLAH,5'-furan]-2'-one cyclopropylmethyl(dihydroxy)spir…

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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) 2.48 6.33 -59.39 3 6 1 80 396.463 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-cyclopropylmethyl-dihydroxy-3'-methyl-spiro[BLAH-5,5'-furan]-2'-one (5R)-cyclopropylmethyl-dihydroxy…

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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) 3.03 5.93 -69.85 3 6 1 80 410.49 2 ↓
Hi High (pH 8-9.5) 3.03 4.53 -16.85 2 6 0 79 409.482 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-cyclopropylmethyl-dihydroxy-3'-methyl-spiro[BLAH-5,5'-furan]-2'-one (5S)-cyclopropylmethyl-dihydroxy…

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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) 3.03 6.12 -56.82 3 6 1 80 410.49 2 ↓
Hi High (pH 8-9.5) 3.03 4.52 -16.89 2 6 0 79 409.482 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-cyclopropylmethyl-dihydroxy-3'-methyl-spiro[BLAH-5,5'-furan]-2'-one (5R)-cyclopropylmethyl-dihydroxy…

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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) 3.03 6.38 -67.74 3 6 1 80 410.49 2 ↓
Hi High (pH 8-9.5) 3.03 4.56 -17.48 2 6 0 79 409.482 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-cyclopropylmethyl-dihydroxy-3'-methyl-spiro[BLAH-5,5'-furan]-2'-one (5S)-cyclopropylmethyl-dihydroxy…

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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) 3.03 6.82 -54.5 3 6 1 80 410.49 2 ↓
Hi High (pH 8-9.5) 3.03 5.03 -18.54 2 6 0 79 409.482 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-dihydroxy-3'-dimethyl-spiro[BLAH-5,5'-furan]-2'-one (5R)-dihydroxy-3'-dimethyl-spiro…

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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) 2.16 3.93 -56.72 3 6 1 80 370.425 0 ↓
Hi High (pH 8-9.5) 2.16 2.18 -15.48 2 6 0 79 369.417 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-dihydroxy-3'-dimethyl-spiro[BLAH-5,5'-furan]-2'-one (5S)-dihydroxy-3'-dimethyl-spiro…

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) 2.16 3.74 -72.99 3 6 1 80 370.425 0 ↓
Hi High (pH 8-9.5) 2.16 2.26 -18.14 2 6 0 79 369.417 0 ↓

Parameters Provided:

ring.id = 87274
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 = 87274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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