UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[(8R,9R,10R,13R,14S,17S)-17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopen 2-[[(8R,9R,10R,13R,14S,17S)-17-a…

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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) 3.98 2.26 -52.21 1 5 -1 78 386.512 5 ↓

Analogs

5200045
5200045
5200059
5200059
5200068
5200068

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Popular Name: 17-hydroxy-2-trifluoroacetylidene androst-3-one 17-hydroxy-2-trifluoroacetyliden…

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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) 4.02 8.48 -49.29 1 3 -1 60 383.43 2 ↓
Mid Mid (pH 6-8) 4.02 7.05 -11.79 2 3 0 58 384.438 2 ↓
Mid Mid (pH 6-8) 3.44 7.06 -8.57 1 3 0 54 384.438 2 ↓

Analogs

5200068
5200068
5200038
5200038

Draw Identity 99% 90% 80% 70%

Popular Name: 17-hydroxy-2-trifluoroacetylidene androst-3-one 17-hydroxy-2-trifluoroacetyliden…

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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) 4.02 8.33 -49.48 1 3 -1 60 383.43 2 ↓
Mid Mid (pH 6-8) 4.02 6.89 -13.87 2 3 0 58 384.438 2 ↓
Mid Mid (pH 6-8) 3.44 6.9 -10.62 1 3 0 54 384.438 2 ↓

Parameters Provided:

ring.id = 231937
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 = 231937 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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