UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine 2-(5-methyl-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) 0.23 2.92 -33.48 3 4 1 58 167.236 1 ↓
Hi High (pH 8-9.5) 0.23 1.64 -7.12 2 4 0 54 166.228 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine 2-(5-methyl-1H-1,2,4-triazol-3-y…

Find On: PubMed — Wikipedia — Google

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) 0.23 2.92 -33.48 3 4 1 58 167.236 1 ↓
Hi High (pH 8-9.5) 0.23 1.7 -6.84 2 4 0 54 166.228 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1H-1,2,4-triazol-3-yl)piperidine 2-(1H-1,2,4-triazol-3-yl)piperidine

Find On: PubMed — Wikipedia — Google

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) 0.15 3.08 -34.27 3 4 1 58 153.209 1 ↓
Hi High (pH 8-9.5) 0.15 1.8 -7.37 2 4 0 54 152.201 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1H-1,2,4-triazol-3-yl)piperidine 2-(1H-1,2,4-triazol-3-yl)piperidine

Find On: PubMed — Wikipedia — Google

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) 0.15 3.08 -34.25 3 4 1 58 153.209 1 ↓
Hi High (pH 8-9.5) 0.15 1.87 -7.08 2 4 0 54 152.201 1 ↓

Parameters Provided:

ring.id = 21470
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 = 21470 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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