UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [5-(3-furyl)-4H-1,2,4-triazol-3-yl]methanamine [5-(3-furyl)-4H-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) -0.26 0.43 -43.79 4 5 1 82 165.176 2 ↓
Hi High (pH 8-9.5) -0.26 0.04 -9.3 3 5 0 81 164.168 2 ↓
Hi High (pH 8-9.5) -0.26 0.3 -43.44 3 5 0 81 164.168 2 ↓

Analogs

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Popular Name: (1S)-1-[5-(3-furyl)-4H-1,2,4-triazol-3-yl]ethanamine (1S)-1-[5-(3-furyl)-4H-1,2,4-tri…

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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) -1.58 0.99 -41.41 4 5 1 82 179.203 2 ↓
Hi High (pH 8-9.5) -1.58 0.84 -8.27 3 5 0 81 178.195 2 ↓
Mid Mid (pH 6-8) -1.58 0.85 -41.72 3 5 0 81 178.195 2 ↓

Analogs

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Popular Name: (1R)-1-[5-(3-furyl)-4H-1,2,4-triazol-3-yl]ethanamine (1R)-1-[5-(3-furyl)-4H-1,2,4-tri…

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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) -1.58 0.99 -41.36 4 5 1 82 179.203 2 ↓
Hi High (pH 8-9.5) -1.58 0.64 -8.81 3 5 0 81 178.195 2 ↓
Mid Mid (pH 6-8) -1.58 0.85 -41.7 3 5 0 81 178.195 2 ↓

Analogs

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Popular Name: 2-[5-(3-furyl)-4H-1,2,4-triazol-3-yl]ethanamine 2-[5-(3-furyl)-4H-1,2,4-triazol-…

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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) -0.46 1.16 -46.62 4 5 1 82 179.203 3 ↓

Analogs

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Popular Name: 3-[5-(3-furyl)-4H-1,2,4-triazol-3-yl]propan-1-amine 3-[5-(3-furyl)-4H-1,2,4-triazol-…

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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) -0.19 1.94 -46.72 4 5 1 82 193.23 4 ↓

Parameters Provided:

ring.id = 21546
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 = 21546 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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