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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,8S,9R,10S,13S,14S,17S)-3-(4-dimethylaminophenyl)-13-methyl-17-prop-1-ynyl-2,3,6,7,8,9,10,11,12,1 (3R,8S,9R,10S,13S,14S,17S)-3-(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) 7.04 13.71 -5.42 1 2 0 23 417.637 2 ↓
Lo Low (pH 4.5-6) 7.04 14.5 -18.43 2 2 0 25 418.645 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,8S,9R,10S,13S,14S,17R)-3-(4-dimethylaminophenyl)-13-methyl-17-prop-1-ynyl-2,3,6,7,8,9,10,11,12,1 (3R,8S,9R,10S,13S,14S,17R)-3-(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) 7.04 13.56 -5.31 1 2 0 23 417.637 2 ↓
Lo Low (pH 4.5-6) 7.04 14.36 -18.46 2 2 0 25 418.645 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,8S,9R,10S,13S,14R,17S)-3-(4-dimethylaminophenyl)-13-methyl-17-prop-1-ynyl-2,3,6,7,8,9,10,11,12,1 (3R,8S,9R,10S,13S,14R,17S)-3-(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) 7.04 13.4 -5.01 1 2 0 23 417.637 2 ↓
Lo Low (pH 4.5-6) 7.04 14.18 -18.35 2 2 0 25 418.645 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,8S,9R,10S,13S,14R,17R)-3-(4-dimethylaminophenyl)-13-methyl-17-prop-1-ynyl-2,3,6,7,8,9,10,11,12,1 (3R,8S,9R,10S,13S,14R,17R)-3-(4-…

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) 7.04 14.2 -4.83 1 2 0 23 417.637 2 ↓
Lo Low (pH 4.5-6) 7.04 14.99 -18.43 2 2 0 25 418.645 2 ↓

Parameters Provided:

ring.id = 197720
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 = 197720 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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