UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19755466
19755466

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Popular Name: N4-cyclopropyl-N4-ethyl-pyridine-3,4-diamine N4-cyclopropyl-N4-ethyl-pyridine…

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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) 1.12 4.68 -29.05 3 3 1 43 178.259 3 ↓

Analogs

42451260
42451260
42781561
42781561
1703086
1703086

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Popular Name: 4-[cyclopropyl(ethyl)amino]pyridine-2-carboxylic 4-[cyclopropyl(ethyl)amino]pyrid…

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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) 1.52 6.44 -32.94 1 4 0 58 206.245 4 ↓

Analogs

19755466
19755466

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Popular Name: N4-cyclopropyl-N4-methyl-pyridine-3,4-diamine N4-cyclopropyl-N4-methyl-pyridin…

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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) 0.75 3.73 -29.23 3 3 1 43 164.232 2 ↓

Analogs

1703086
1703086

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Popular Name: 4-[cyclopropyl(methyl)amino]pyridine-2-carboxylic 4-[cyclopropyl(methyl)amino]pyri…

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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) 1.15 5.56 -33 1 4 0 58 192.218 3 ↓

Analogs

19755466
19755466

Draw Identity 99% 90% 80% 70%

Popular Name: N4-cyclopropyl-N4-propyl-pyridine-3,4-diamine N4-cyclopropyl-N4-propyl-pyridin…

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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) 1.62 5.5 -28.96 3 3 1 43 192.286 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[cyclopropyl(propyl)amino]pyridine-2-carboxylic 4-[cyclopropyl(propyl)amino]pyri…

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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) 2.02 7.15 -33.07 1 4 0 58 220.272 5 ↓

Analogs

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Popular Name: 2-[(3-amino-4-pyridyl)-cyclopropyl-amino]ethanol 2-[(3-amino-4-pyridyl)-cycloprop…

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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) 0.11 1.83 -30.69 4 4 1 64 194.258 4 ↓

Parameters Provided:

ring.id = 137771
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 = 137771 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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