UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4293393
4293393
4532035
4532035
4532036
4532036

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Popular Name: [(1S)-1,5-dimethylhexyl]-tetramethyl-BLAHone [(1S)-1,5-dimethylhexyl]-tetrame…

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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) 7.56 13.36 -13.59 0 3 0 39 444.7 5 ↓

Analogs

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Popular Name: 7-hydroxy-4-isopropenyl-7-methyloxepan-2-one 7-hydroxy-4-isopropenyl-7-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) 1.89 4.52 -7.04 1 3 0 47 184.235 1 ↓

Analogs

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Popular Name: 2-Deoxybrassinolide 2-Deoxybrassinolide

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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) 6.03 6.84 -9.53 3 5 0 87 464.687 5 ↓

Analogs

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Popular Name: 7-oxateasterone; CPD-12498 7-oxateasterone; CPD-12498

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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) 6.03 6.14 -9.54 3 5 0 87 464.687 5 ↓

Analogs

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Popular Name: 7-oxateasterone; CPD-12498 7-oxateasterone; CPD-12498

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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) 6.03 8.23 -10.55 3 5 0 87 464.687 5 ↓

Analogs

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Popular Name: 7-oxateasterone; CPD-12498 7-oxateasterone; CPD-12498

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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) 6.03 6.56 -11.84 3 5 0 87 464.687 5 ↓

Analogs

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Popular Name: (22R,23R,24S)-3alpha,22,23-Trihydroxy-7-oxa-5alpha-ergostane-6-one; 7-Oxatyphasterol; C17735 (22R,23R,24S)-3alpha,22,23-Trihy…

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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) 6.03 7.07 -9 3 5 0 87 464.687 5 ↓

Analogs

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Popular Name: (22R,23R,24S)-3alpha,22,23-Trihydroxy-7-oxa-5alpha-ergostane-6-one; 7-Oxatyphasterol; C17735 (22R,23R,24S)-3alpha,22,23-Trihy…

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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) 6.03 6.37 -9.19 3 5 0 87 464.687 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (22R,23R,24S)-3alpha,22,23-Trihydroxy-7-oxa-5alpha-ergostane-6-one; 7-Oxatyphasterol; C17735 (22R,23R,24S)-3alpha,22,23-Trihy…

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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) 6.03 7.04 -8.57 3 5 0 87 464.687 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (22R,23R,24S)-3alpha,22,23-Trihydroxy-7-oxa-5alpha-ergostane-6-one; 7-Oxatyphasterol; C17735 (22R,23R,24S)-3alpha,22,23-Trihy…

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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) 6.03 6.69 -10.16 3 5 0 87 464.687 5 ↓

Parameters Provided:

ring.id = 137321
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 = 137321 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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