UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

49317456
49317456

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Popular Name: 2-(cyclopropylmethylamino)-N-isopropyl-N-[(5-methyl-2-furyl)methyl]acetamide 2-(cyclopropylmethylamino)-N-iso…

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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 7.79 -42.78 2 4 1 50 265.377 7 ↓
Hi High (pH 8-9.5) 1.52 6.44 -8.27 1 4 0 45 264.369 7 ↓

Analogs

41381577
41381577
48734327
48734327
48734329
48734329
30217860
30217860
36396287
36396287

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Popular Name: N-[(5-bromo-2-furyl)methyl]-2-(cyclopropylmethylamino)-N-methyl-acetamide N-[(5-bromo-2-furyl)methyl]-2-(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) 1.56 6.32 -42.73 2 4 1 50 302.192 6 ↓
Hi High (pH 8-9.5) 1.56 4.96 -7.01 1 4 0 45 301.184 6 ↓

Analogs

49001350
49001350
49001351
49001351

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Popular Name: N-(2-cyanoethyl)-2-(cyclopropylmethylamino)-N-(2-furylmethyl)acetamide N-(2-cyanoethyl)-2-(cyclopropylm…

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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) 0.08 7 -52.75 2 5 1 74 262.333 8 ↓
Hi High (pH 8-9.5) 0.08 5.63 -13.37 1 5 0 69 261.325 8 ↓

Analogs

47470087
47470087
47837567
47837567
48889483
48889483
49317456
49317456
31458126
31458126

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Popular Name: 2-(cyclopropylmethylamino)-N-(2-dimethylaminoethyl)-N-[(5-methyl-2-furyl)methyl]acetamide 2-(cyclopropylmethylamino)-N-(2-…

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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) 0.88 8.62 -112.53 3 5 2 54 295.427 9 ↓
Hi High (pH 8-9.5) 0.88 7.26 -49.44 2 5 1 50 294.419 9 ↓

Parameters Provided:

ring.id = 32049
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 = 32049 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=32049&filter.purchasability=annotated

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