UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19868305
19868305
12899510
12899510

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Popular Name: N5-cyclopropyl-N5-ethyl-pyridine-2,5-diamine N5-cyclopropyl-N5-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) 1.53 4.59 -26.68 3 3 1 43 178.259 3 ↓
Mid Mid (pH 6-8) 1.53 4.11 -4.54 2 3 0 42 177.251 3 ↓

Analogs

19868305
19868305
12899510
12899510

Draw Identity 99% 90% 80% 70%

Popular Name: N5-cyclopropyl-N5-methyl-pyridine-2,5-diamine N5-cyclopropyl-N5-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) 1.16 3.76 -26.76 3 3 1 43 164.232 2 ↓
Hi High (pH 8-9.5) 1.16 3.29 -4.91 2 3 0 42 163.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-cyclopropyl-N5-propyl-pyridine-2,5-diamine N5-cyclopropyl-N5-propyl-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) 2.04 5.35 -26.91 3 3 1 43 192.286 4 ↓
Hi High (pH 8-9.5) 2.04 4.87 -4.31 2 3 0 42 191.278 4 ↓

Analogs

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Popular Name: 2-[(6-amino-3-pyridyl)-cyclopropyl-amino]ethanol 2-[(6-amino-3-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) 0.53 1.6 -28.14 4 4 1 64 194.258 4 ↓
Mid Mid (pH 6-8) 0.53 1.12 -6.12 3 4 0 62 193.25 4 ↓

Parameters Provided:

ring.id = 137773
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 = 137773 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=137773&filter.purchasability=annotated

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