UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-N-[2-(8-methoxy-2-quinolyl)-4-methyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-trien-3-yl]-be 4-chloro-N-[2-(8-methoxy-2-quino…

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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) 3.95 12.15 -21.36 2 8 0 97 446.898 4 ↓
Lo Low (pH 4.5-6) 3.77 -0.72 -33.65 3 8 1 95 447.906 4 ↓

Analogs

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Popular Name: 4-chloro-N-[2-(8-methoxy-2-quinolyl)-4-methyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-trien-3-yl]-be 4-chloro-N-[2-(8-methoxy-2-quino…

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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

Analogs

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Popular Name: (7S)-7-(2,4-dimethoxyphenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7S)-7-(2,4-dimethoxyphenyl)-2-m…

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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) 1.26 8.49 -63.03 1 8 -1 105 315.309 4 ↓
Lo Low (pH 4.5-6) 0.88 7.57 -19.81 1 8 0 103 316.317 4 ↓

Analogs

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Popular Name: (7R)-7-(2,4-dimethoxyphenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7R)-7-(2,4-dimethoxyphenyl)-2-m…

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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) 1.26 8.45 -62.99 1 8 -1 105 315.309 4 ↓
Lo Low (pH 4.5-6) 0.88 7.99 -19.61 1 8 0 103 316.317 4 ↓

Analogs

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Popular Name: (7S)-2-methyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7S)-2-methyl-7-(2,4,5-trimethox…

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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) 0.85 8.4 -65 1 9 -1 114 345.335 5 ↓
Lo Low (pH 4.5-6) 0.47 7.49 -22.53 1 9 0 113 346.343 5 ↓

Analogs

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Popular Name: (7R)-2-methyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7R)-2-methyl-7-(2,4,5-trimethox…

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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) 0.85 8.35 -64.98 1 9 -1 114 345.335 5 ↓
Lo Low (pH 4.5-6) 0.47 7.91 -21.52 1 9 0 113 346.343 5 ↓

Analogs

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Popular Name: (7S)-2-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7S)-2-methyl-7-(3,4,5-trimethox…

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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) 0.85 8.82 -61.9 1 9 -1 114 345.335 5 ↓
Lo Low (pH 4.5-6) 0.47 8.01 -26.06 1 9 0 113 346.343 5 ↓

Analogs

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Popular Name: (7S)-7-(2,5-dimethoxyphenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7S)-7-(2,5-dimethoxyphenyl)-2-m…

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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) 0.88 7.16 -54.98 0 8 -1 102 315.309 4 ↓
Lo Low (pH 4.5-6) 0.88 7.57 -22.03 1 8 0 103 316.317 4 ↓

Analogs

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Popular Name: (7R)-7-(2,5-dimethoxyphenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7R)-7-(2,5-dimethoxyphenyl)-2-m…

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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) 0.88 7.58 -50.66 0 8 -1 102 315.309 4 ↓
Lo Low (pH 4.5-6) 0.88 7.99 -19.57 1 8 0 103 316.317 4 ↓

Analogs

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Popular Name: (7S)-2-ethyl-7-(4-hydroxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7S)-2-ethyl-7-(4-hydroxyphenyl)…

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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) 0.93 6.25 -50.69 1 7 -1 103 285.283 3 ↓
Lo Low (pH 4.5-6) 0.93 6.65 -23.07 2 7 0 105 286.291 3 ↓

Analogs

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Popular Name: (7R)-2-ethyl-7-(4-hydroxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7R)-2-ethyl-7-(4-hydroxyphenyl)…

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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) 0.93 6.68 -46.25 1 7 -1 103 285.283 3 ↓
Lo Low (pH 4.5-6) 0.93 7.08 -20.4 2 7 0 105 286.291 3 ↓

Analogs

9013267
9013267
9013542
9013542
9013543
9013543

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Popular Name: N-[(7R)-5,7-diphenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxy-benzamide N-[(7R)-5,7-diphenyl-6,7-dihydro…

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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) 4.37 15.37 -21.57 1 7 0 81 423.476 5 ↓
Ref Reference (pH 7) 4.44 14.32 -49.79 1 7 -1 91 422.468 5 ↓
Mid Mid (pH 6-8) 4.37 15.7 -39.55 2 7 1 83 424.484 5 ↓

Analogs

8587316
8587316
8587317
8587317
521013
521013
521014
521014

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Popular Name: N-[(7S)-5,7-diphenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxy-benzamide N-[(7S)-5,7-diphenyl-6,7-dihydro…

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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) 4.37 14.94 -22.66 1 7 0 81 423.476 5 ↓
Mid Mid (pH 6-8) 4.37 15.26 -39.32 2 7 1 83 424.484 5 ↓
Lo Low (pH 4.5-6) 4.37 16.08 -32.93 3 7 1 86 424.484 5 ↓

Parameters Provided:

ring.id = 7213
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 = 7213 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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