UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-chloro-5-[[5-(p-tolylamino)-1H-1,2,4-triazol-3-yl]sulfamoyl]-4-sulfanyl-phenyl] [2-chloro-5-[[5-(p-tolylamino)-1…

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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) 3.55 11.58 -124.94 2 9 -2 128 451.917 7 ↓
Mid Mid (pH 6-8) 3.55 11.04 -52.63 2 9 -1 128 452.925 7 ↓
Lo Low (pH 4.5-6) 3.55 11.45 -50.07 3 9 -1 126 452.925 7 ↓

Analogs

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Popular Name: 3-(2-formylpyrrol-1-yl)-N-(1H-1,2,4-triazol-3-yl)propanamide 3-(2-formylpyrrol-1-yl)-N-(1H-1,…

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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) -0.02 5.74 -13.05 2 7 0 96 233.231 4 ↓
Mid Mid (pH 6-8) -0.02 4.98 -40.66 1 7 -1 99 232.223 5 ↓

Analogs

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Popular Name: (2R)-1-(2,2-dimethylpropanoyl)-N-(4H-1,2,4-triazol-3-yl)pyrrolidine-2-carboxamide (2R)-1-(2,2-dimethylpropanoyl)-N…

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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) 0.51 6.16 -16.8 2 7 0 94 265.317 2 ↓
Mid Mid (pH 6-8) 0.52 4.54 -55.95 1 7 -1 97 264.309 3 ↓

Analogs

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Popular Name: (2S)-1-(2,2-dimethylpropanoyl)-N-(4H-1,2,4-triazol-3-yl)pyrrolidine-2-carboxamide (2S)-1-(2,2-dimethylpropanoyl)-N…

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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) 0.51 6.73 -16.67 2 7 0 94 265.317 2 ↓
Mid Mid (pH 6-8) 0.52 4.49 -56.58 1 7 -1 97 264.309 3 ↓

Analogs

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Popular Name: 2-(5-chloro-2-methoxy-phenyl)-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]acetamide 2-(5-chloro-2-methoxy-phenyl)-N-…

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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) 2.50 7.23 -12.03 2 7 0 96 343.774 4 ↓
Mid Mid (pH 6-8) 2.51 6.48 -55.27 1 7 -1 99 342.766 5 ↓

Analogs

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Popular Name: 2-(1-methylindol-3-yl)-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]acetamide 2-(1-methylindol-3-yl)-N-[5-(2-p…

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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) 2.06 9.15 -14.63 2 7 0 92 332.367 3 ↓
Mid Mid (pH 6-8) 2.07 8.38 -58.55 1 7 -1 95 331.359 4 ↓

Analogs

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Popular Name: N-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-2-(4-methoxyphenyl)acetamide N-[3-(4-chlorophenyl)-1H-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) 3.72 8.94 -11.11 2 6 0 83 342.786 4 ↓
Mid Mid (pH 6-8) 3.73 8.3 -43.13 1 6 -1 86 341.778 5 ↓

Analogs

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Popular Name: 5-bromo-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide 5-bromo-N-(5-methyl-1H-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) 1.06 4.14 -11.13 2 6 0 87 271.074 1 ↓
Hi High (pH 8-9.5) 0.95 3.08 -42.16 1 6 -1 90 270.066 2 ↓

Analogs

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Popular Name: 2-(5-chloro-3-methyl-isoxazol-4-yl)-N-[5-(5-methyl-2-thienyl)-4H-1,2,4-triazol-3-yl]acetamide 2-(5-chloro-3-methyl-isoxazol-4-…

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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) 2.43 7.21 -10.3 2 7 0 100 337.792 3 ↓
Mid Mid (pH 6-8) 2.44 6.44 -44.83 1 7 -1 103 336.784 4 ↓

Parameters Provided:

ring.id = 11517
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 = 11517 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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