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

Analogs

42776278
42776278

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl(ethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[cyclopropyl(ethyl)amino]-1-(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) 1.27 6.69 -31.63 1 6 0 81 237.259 6 ↓
Hi High (pH 8-9.5) 1.27 4.42 -30.07 0 6 -1 80 236.251 6 ↓
Mid Mid (pH 6-8) 1.27 7.14 -48.99 2 6 1 83 238.267 6 ↓

Analogs

42776278
42776278

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl(methyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[cyclopropyl(methyl)amino]-1-(…

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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) 0.90 6.06 -32.83 1 6 0 81 223.232 5 ↓
Hi High (pH 8-9.5) 0.90 3.83 -29.51 0 6 -1 80 222.224 5 ↓
Mid Mid (pH 6-8) 0.90 6.5 -50.4 2 6 1 83 224.24 5 ↓

Analogs

42776278
42776278

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl(propyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[cyclopropyl(propyl)amino]-1-(…

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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) 1.78 7.44 -31.77 1 6 0 81 251.286 7 ↓
Hi High (pH 8-9.5) 1.78 5.49 -30.35 0 6 -1 80 250.278 7 ↓
Mid Mid (pH 6-8) 1.78 7.89 -49.59 2 6 1 83 252.294 7 ↓

Analogs

42775885
42775885

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl(propyl)amino]-1-(1-methylpyrrol-2-yl)ethanone 2-[cyclopropyl(propyl)amino]-1-(…

Find On: PubMed — Wikipedia — Google

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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) 1.96 8.79 -32.59 1 3 1 26 221.324 6 ↓
Hi High (pH 8-9.5) 1.96 6.84 -6.68 0 3 0 25 220.316 6 ↓

Analogs

42775967
42775967

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl(propyl)amino]-1-(1H-pyrrol-2-yl)ethanone 2-[cyclopropyl(propyl)amino]-1-(…

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) 1.89 7.06 -32.88 2 3 1 37 207.297 6 ↓
Hi High (pH 8-9.5) 1.89 5.11 -6.93 1 3 0 36 206.289 6 ↓

Parameters Provided:

ring.id = 568010
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 = 568010 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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