UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: diethyl diethyl

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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) 2.14 6.94 -19.56 4 9 0 135 439.441 10 ↓

Analogs

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Popular Name: 5-[(5-bromo-3-thienyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(5-bromo-3-thienyl)methylsulf…

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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) 3.04 9 -10.17 2 4 0 57 333.28 4 ↓

Analogs

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Popular Name: 4-isopropyl-5-(3-thienylmethylsulfanyl)-1,2,4-triazol-3-amine 4-isopropyl-5-(3-thienylmethylsu…

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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) 2.10 8.27 -10.43 2 4 0 57 254.384 4 ↓

Analogs

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Popular Name: 3-[(5-bromo-3-thienyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine 3-[(5-bromo-3-thienyl)methylsulf…

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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) 1.97 6.25 -8.62 2 4 0 57 305.226 3 ↓

Analogs

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Popular Name: 4-allyl-5-[(5-bromo-3-thienyl)methylsulfanyl]-1,2,4-triazol-3-amine 4-allyl-5-[(5-bromo-3-thienyl)me…

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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) 2.94 9.15 -10.48 2 4 0 57 331.264 5 ↓

Parameters Provided:

ring.id = 45485
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 = 45485 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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