UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42187684
42187684

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Popular Name: N-Cyclopropyl-5-nitroquinolin-6-amine N-Cyclopropyl-5-nitroquinolin-6-…

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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) 2.33 6.33 -9.01 1 5 0 71 229.239 3 ↓

Analogs

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Popular Name: (1R,2S)-N1-(5-nitro-6-quinolyl)cyclopropane-1,2-diamine (1R,2S)-N1-(5-nitro-6-quinolyl)c…

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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) 1.47 3.89 -49.84 4 6 1 98 245.262 3 ↓
Hi High (pH 8-9.5) 1.47 3.55 -10.2 3 6 0 97 244.254 3 ↓

Analogs

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Popular Name: (1S,2S)-N1-(5-nitro-6-quinolyl)cyclopropane-1,2-diamine (1S,2S)-N1-(5-nitro-6-quinolyl)c…

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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) 1.47 3.66 -56.06 4 6 1 98 245.262 3 ↓
Hi High (pH 8-9.5) 1.47 3.34 -8.45 3 6 0 97 244.254 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N1-(5-nitro-6-quinolyl)cyclopropane-1,2-diamine (1R,2R)-N1-(5-nitro-6-quinolyl)c…

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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) 1.47 3.66 -56.68 4 6 1 98 245.262 3 ↓
Hi High (pH 8-9.5) 1.47 3.34 -8.98 3 6 0 97 244.254 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N1-(5-nitro-6-quinolyl)cyclopropane-1,2-diamine (1S,2R)-N1-(5-nitro-6-quinolyl)c…

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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) 1.47 3.92 -49.26 4 6 1 98 245.262 3 ↓
Hi High (pH 8-9.5) 1.47 3.6 -10.07 3 6 0 97 244.254 3 ↓

Analogs

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Popular Name: 2-[(5-amino-6-quinolyl)-cyclopropyl-amino]ethanol 2-[(5-amino-6-quinolyl)-cyclopro…

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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) 1.47 3.33 -8.06 3 4 0 62 243.31 4 ↓
Mid Mid (pH 6-8) 1.47 3.76 -29.68 4 4 1 64 244.318 4 ↓

Parameters Provided:

ring.id = 568982
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 = 568982 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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