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

Analogs

19504367
19504367
19504366
19504366
36190003
36190003

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-(4-cyclopropylpiperazin-1-yl)methanone [(2R,3aS,7aR)-2,3,3a,4,5,6,7,7a-…

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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) 2.49 5.15 -37.53 2 4 1 40 278.42 2 ↓
Mid Mid (pH 6-8) 2.49 7.34 -94.91 3 4 2 41 279.428 2 ↓

Analogs

19504367
19504367
19504366
19504366
36190003
36190003

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-(4-cyclopropylpiperazin-1-yl)methanone [(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-…

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) 2.49 5.03 -35.15 2 4 1 40 278.42 2 ↓
Mid Mid (pH 6-8) 2.49 7.4 -91.4 3 4 2 41 279.428 2 ↓

Analogs

19504367
19504367
19504366
19504366
36190003
36190003

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-(4-cyclopropylpiperazin-1-yl)methanone [(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-…

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) 2.49 5.39 -38.47 2 4 1 40 278.42 2 ↓
Mid Mid (pH 6-8) 2.49 7.57 -95.18 3 4 2 41 279.428 2 ↓

Analogs

19504367
19504367
19504366
19504366
36190003
36190003

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-(4-cyclopropylpiperazin-1-yl)methanone [(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-…

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) 2.49 5.16 -37.01 2 4 1 40 278.42 2 ↓
Mid Mid (pH 6-8) 2.49 7.35 -94.39 3 4 2 41 279.428 2 ↓

Parameters Provided:

ring.id = 580237
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 = 580237 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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