UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S,2R)-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropanecarboxylic (1S,2R)-2-(2-methyl-5-phenyl-1,2…

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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) 1.51 8.25 -59.75 0 5 -1 71 242.258 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropanecarboxylic (1S,2S)-2-(2-methyl-5-phenyl-1,2…

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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) 1.51 8.62 -46.17 0 5 -1 71 242.258 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropanecarboxylic (1R,2R)-2-(2-methyl-5-phenyl-1,2…

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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) 1.51 8.61 -46.79 0 5 -1 71 242.258 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropanecarboxylic (1R,2S)-2-(2-methyl-5-phenyl-1,2…

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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) 1.51 8.8 -58.54 0 5 -1 71 242.258 3 ↓

Analogs

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Popular Name: 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-nitro-aniline 2-(5-cyclopropyl-1H-1,2,4-triazo…

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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) 1.33 5.36 -8.23 3 7 0 113 245.242 3 ↓
Hi High (pH 8-9.5) 1.33 5.11 -35.5 2 7 -1 112 244.234 3 ↓

Analogs

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Popular Name: 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-iodo-aniline 2-(5-cyclopropyl-1H-1,2,4-triazo…

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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) 2.46 5.74 -7.36 3 4 0 68 326.141 2 ↓

Analogs

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Popular Name: 2,4-dibromo-6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline 2,4-dibromo-6-(5-cyclopropyl-1H-…

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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) 2.92 5.96 -5.64 3 4 0 68 358.037 2 ↓

Analogs

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Popular Name: 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4,6-dimethyl-aniline 2-(5-cyclopropyl-1H-1,2,4-triazo…

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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) 2.20 6.08 -8.17 3 4 0 68 228.299 2 ↓

Analogs

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Popular Name: 2-bromo-6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline 2-bromo-6-(5-cyclopropyl-1H-1,2,…

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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) 2.16 5.36 -6.84 3 4 0 68 279.141 2 ↓

Analogs

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Popular Name: 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-fluoro-aniline 4-(5-cyclopropyl-1H-1,2,4-triazo…

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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) 1.54 4.7 -8.56 3 4 0 68 218.235 2 ↓
Lo Low (pH 4.5-6) 1.54 5.13 -28.37 4 4 1 69 219.243 2 ↓

Analogs

42013492
42013492
41058732
41058732
3888872
3888872
4343290
4343290

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Popular Name: 5-cyclopropyl-3-phenyl-1H-1,2,4-triazole 5-cyclopropyl-3-phenyl-1H-1,2,4-…

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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) 1.96 6.72 -8.11 1 3 0 42 185.23 2 ↓

Analogs

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Popular Name: 5-[(1S,2R)-2-methylcyclopropyl]-3-phenyl-1H-1,2,4-triazole 5-[(1S,2R)-2-methylcyclopropyl]-…

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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) 2.57 7.14 -7.94 1 3 0 42 199.257 2 ↓

Analogs

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Popular Name: 5-[(1S,2S)-2-methylcyclopropyl]-3-phenyl-1H-1,2,4-triazole 5-[(1S,2S)-2-methylcyclopropyl]-…

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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) 2.57 7.39 -7.82 1 3 0 42 199.257 2 ↓

Analogs

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Popular Name: 5-[(1R,2R)-2-methylcyclopropyl]-3-phenyl-1H-1,2,4-triazole 5-[(1R,2R)-2-methylcyclopropyl]-…

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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) 2.57 7.39 -7.86 1 3 0 42 199.257 2 ↓

Analogs

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Popular Name: 5-[(1R,2S)-2-methylcyclopropyl]-3-phenyl-1H-1,2,4-triazole 5-[(1R,2S)-2-methylcyclopropyl]-…

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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) 2.57 7.14 -7.98 1 3 0 42 199.257 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclopropanecarboxylic (1S,2R)-2-(5-phenyl-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) 1.44 6.74 -53.44 1 5 -1 82 228.231 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclopropanecarboxylic (1S,2S)-2-(5-phenyl-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) 1.44 7.35 -49.33 1 5 -1 82 228.231 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclopropanecarboxylic (1R,2R)-2-(5-phenyl-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) 1.44 7.35 -49.22 1 5 -1 82 228.231 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(5-phenyl-1H-1,2,4-triazol-3-yl)cyclopropanecarboxylic (1R,2S)-2-(5-phenyl-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) 1.44 6.9 -53.29 1 5 -1 82 228.231 3 ↓

Parameters Provided:

ring.id = 144707
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 = 144707 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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