UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S,2R)-2-(4H-1,2,4-triazol-3-ylmethylcarbamoyl)cyclopropanecarboxylic (1S,2R)-2-(4H-1,2,4-triazol-3-yl…

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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) -1.27 2.65 -53.39 2 7 -1 111 209.185 4 ↓
Lo Low (pH 4.5-6) -1.27 0.71 -14.98 3 7 0 108 210.193 4 ↓

Analogs

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Popular Name: (1S,2S)-2-(4H-1,2,4-triazol-3-ylmethylcarbamoyl)cyclopropanecarboxylic (1S,2S)-2-(4H-1,2,4-triazol-3-yl…

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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) -1.27 2.74 -48.18 2 7 -1 111 209.185 4 ↓
Lo Low (pH 4.5-6) -1.27 0.75 -11.15 3 7 0 108 210.193 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4H-1,2,4-triazol-3-ylmethylcarbamoyl)cyclopropanecarboxylic (1R,2R)-2-(4H-1,2,4-triazol-3-yl…

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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) -1.27 2.75 -49.48 2 7 -1 111 209.185 4 ↓
Lo Low (pH 4.5-6) -1.27 0.75 -11.64 3 7 0 108 210.193 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4H-1,2,4-triazol-3-ylmethylcarbamoyl)cyclopropanecarboxylic (1R,2S)-2-(4H-1,2,4-triazol-3-yl…

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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) -1.27 2.65 -48.56 2 7 -1 111 209.185 4 ↓
Lo Low (pH 4.5-6) -1.27 0.71 -14.59 3 7 0 108 210.193 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4H-1,2,4-triazol-3-ylmethyl)cyclopropanecarboxamide N-(4H-1,2,4-triazol-3-ylmethyl)c…

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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) -0.75 2.12 -8.71 2 5 0 71 166.184 3 ↓

Parameters Provided:

ring.id = 583944
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 = 583944 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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