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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]cycloheptanecarboxylic 1-[(5-amino-1H-1,2,4-triazol-3-y…

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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) 1.22 6.55 -50.59 3 6 -1 108 237.283 3 ↓
Lo Low (pH 4.5-6) 1.22 6.64 -41.78 4 6 0 109 238.291 3 ↓

Analogs

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Popular Name: 1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]cycloheptanecarboxylic 1-[(5-methyl-4-propyl-1,2,4-tria…

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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) 2.45 9.76 -63.95 0 5 -1 71 278.376 5 ↓
Lo Low (pH 4.5-6) 2.45 7.75 -15.13 1 5 0 68 279.384 5 ↓

Analogs

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Popular Name: 1-[(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cycloheptanecarboxylic 1-[(4-isopropyl-5-methyl-1,2,4-t…

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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) 2.31 8.97 -59.43 0 5 -1 71 278.376 4 ↓
Lo Low (pH 4.5-6) 2.31 6.28 -9.05 1 5 0 68 279.384 4 ↓

Analogs

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Popular Name: 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]cycloheptanecarboxylic 1-[(4,5-dimethyl-1,2,4-triazol-3…

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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) 1.57 7.98 -46.45 0 5 -1 71 250.322 3 ↓
Lo Low (pH 4.5-6) 1.57 6.81 -10.89 1 5 0 68 251.33 3 ↓

Analogs

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Popular Name: 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cycloheptanecarboxylic 1-[(4-ethyl-5-methyl-1,2,4-triaz…

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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) 1.95 8.84 -56.07 0 5 -1 71 264.349 4 ↓
Lo Low (pH 4.5-6) 1.95 7.01 -15.76 1 5 0 68 265.357 4 ↓

Parameters Provided:

ring.id = 557584
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 = 557584 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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