UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]indoline-2,3-dione 1-[[4-(3,4-dichlorophenyl)pipera…

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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) 3.79 7.2 -12.58 0 5 0 46 390.27 3 ↓

Analogs

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Popular Name: 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-nitro-indoline-2,3-dione 1-[[4-(4-fluorophenyl)piperazin-…

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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) 2.60 6.97 -15.73 0 8 0 91 384.367 4 ↓

Analogs

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Popular Name: 1-[[4-(m-tolyl)piperazin-1-yl]methyl]indoline-2,3-dione 1-[[4-(m-tolyl)piperazin-1-yl]me…

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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) 2.93 6.89 -12.58 0 5 0 46 335.407 3 ↓

Analogs

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Popular Name: 5-bromo-1-[[4-(m-tolyl)piperazin-1-yl]methyl]indoline-2,3-dione 5-bromo-1-[[4-(m-tolyl)piperazin…

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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) 3.71 7.7 -11.36 0 5 0 46 414.303 3 ↓

Analogs

16076802
16076802

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Popular Name: 1-[[4-(m-tolyl)piperazin-1-yl]methyl]-5-nitro-indoline-2,3-dione 1-[[4-(m-tolyl)piperazin-1-yl]me…

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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) 2.86 7.76 -15.01 0 8 0 91 380.404 4 ↓

Analogs

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Popular Name: 1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indoline-2,3-dione 1-[[4-[3-(trifluoromethyl)phenyl…

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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) 3.38 7.25 -12.6 0 5 0 46 389.377 4 ↓

Analogs

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Popular Name: 5-nitro-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indoline-2,3-dione 5-nitro-1-[[4-[3-(trifluoromethy…

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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) 3.31 8.11 -17.13 0 8 0 91 434.374 5 ↓

Parameters Provided:

ring.id = 74397
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 = 74397 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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