UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13127579
13127579

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Popular Name: (7S)-5-(2,4-dimethoxyphenyl)-7-(3-methoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine (7S)-5-(2,4-dimethoxyphenyl)-7-(…

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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) 3.03 7.87 -18.58 0 8 0 84 365.393 5 ↓
Mid Mid (pH 6-8) 3.03 7.67 -36.01 1 8 1 85 366.401 5 ↓

Analogs

13127578
13127578

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Popular Name: (7R)-5-(2,4-dimethoxyphenyl)-7-(3-methoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine (7R)-5-(2,4-dimethoxyphenyl)-7-(…

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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) 3.03 8.3 -18.37 0 8 0 84 365.393 5 ↓
Mid Mid (pH 6-8) 3.03 8.51 -28.59 2 8 1 88 366.401 5 ↓
Mid Mid (pH 6-8) 3.03 8.17 -37.35 1 8 1 85 366.401 5 ↓

Analogs

13127582
13127582

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Popular Name: 4-[(7S)-5-(3-methoxyphenyl)-1,7-dihydrotetrazolo[5,1-b]pyrimidin-7-yl]-N,N-dimethyl-aniline 4-[(7S)-5-(3-methoxyphenyl)-1,7-…

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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) 3.09 9.19 -18.5 0 7 0 68 348.41 4 ↓
Ref Reference (pH 7) 3.09 10.05 -35.81 2 7 1 73 349.418 4 ↓
Lo Low (pH 4.5-6) 3.09 10.79 -50.67 3 7 0 74 350.426 4 ↓

Analogs

13127581
13127581

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Popular Name: 4-[(7R)-5-(3-methoxyphenyl)-1,7-dihydrotetrazolo[5,1-b]pyrimidin-7-yl]-N,N-dimethyl-aniline 4-[(7R)-5-(3-methoxyphenyl)-1,7-…

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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) 3.09 9.62 -17.71 0 7 0 68 348.41 4 ↓
Lo Low (pH 4.5-6) 3.09 10.79 -50.7 3 7 0 74 350.426 4 ↓

Analogs

13127591
13127591
5059508
5059508
5178604
5178604

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Popular Name: (7S)-5-(4-methoxyphenyl)-7-(p-tolyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine (7S)-5-(4-methoxyphenyl)-7-(p-to…

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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) 3.46 9.45 -15.27 0 6 0 65 319.368 3 ↓
Mid Mid (pH 6-8) 3.46 9.78 -39.43 1 6 1 67 320.376 3 ↓

Analogs

5059508
5059508
5178604
5178604

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Popular Name: (7R)-5-(4-methoxyphenyl)-7-(p-tolyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine (7R)-5-(4-methoxyphenyl)-7-(p-to…

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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) 3.46 9.88 -14.62 0 6 0 65 319.368 3 ↓
Mid Mid (pH 6-8) 3.47 10.44 -30.82 2 6 1 70 320.376 3 ↓
Mid Mid (pH 6-8) 3.46 10.21 -40.5 1 6 1 67 320.376 3 ↓

Analogs

13127602
13127602
13131117
13131117
13131119
13131119

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Popular Name: (7S)-7-(2-methoxyphenyl)-5-(p-tolyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine (7S)-7-(2-methoxyphenyl)-5-(p-to…

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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) 3.41 9.5 -14.1 0 6 0 65 319.368 3 ↓
Mid Mid (pH 6-8) 3.42 10.63 -25.63 2 6 1 70 320.376 3 ↓
Mid Mid (pH 6-8) 3.41 9.84 -35.84 1 6 1 67 320.376 3 ↓

Analogs

13131117
13131117
13131119
13131119
13127601
13127601

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Popular Name: (7R)-7-(2-methoxyphenyl)-5-(p-tolyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine (7R)-7-(2-methoxyphenyl)-5-(p-to…

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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) 3.41 9.95 -14 0 6 0 65 319.368 3 ↓
Mid Mid (pH 6-8) 3.41 10.28 -36.09 1 6 1 67 320.376 3 ↓

Analogs

13127614
13127614
5156497
5156497
5156499
5156499

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Popular Name: (7S)-5-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine (7S)-5-(2,4-dimethoxyphenyl)-7-(…

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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) 2.64 7.74 -21.2 0 9 0 93 395.419 6 ↓
Mid Mid (pH 6-8) 2.65 8.38 -34.51 2 9 1 97 396.427 6 ↓
Mid Mid (pH 6-8) 2.64 7.56 -40.35 1 9 1 95 396.427 6 ↓

Analogs

5156497
5156497
5156499
5156499
13127612
13127612

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Popular Name: (7R)-5-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine (7R)-5-(2,4-dimethoxyphenyl)-7-(…

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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) 2.64 8.21 -20.94 0 9 0 93 395.419 6 ↓
Mid Mid (pH 6-8) 2.65 8.38 -33.34 2 9 1 97 396.427 6 ↓
Mid Mid (pH 6-8) 2.64 8.06 -42.3 1 9 1 95 396.427 6 ↓

Analogs

541343
541343
545317
545317
545318
545318
34342
34342
34343
34343

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Popular Name: (7S)-7-(4-nitrophenyl)-5-(p-tolyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (7S)-7-(4-nitrophenyl)-5-(p-toly…

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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) 3.36 10.83 -19.65 0 8 0 102 334.339 3 ↓
Mid Mid (pH 6-8) 3.37 11.81 -41.79 2 8 1 106 335.347 3 ↓

Analogs

545317
545317
545318
545318
34342
34342
34343
34343

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(4-nitrophenyl)-5-(p-tolyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (7R)-7-(4-nitrophenyl)-5-(p-toly…

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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) 3.36 11.29 -18.91 0 8 0 102 334.339 3 ↓
Mid Mid (pH 6-8) 3.37 11.82 -41.78 2 8 1 106 335.347 3 ↓

Analogs

542768
542768
2400960
2400960
2400961
2400961

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Popular Name: (7S)-7-(2,3-dichlorophenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine (7S)-7-(2,3-dichlorophenyl)-5-ph…

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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) 4.22 10.31 -12.63 0 5 0 56 344.205 2 ↓
Mid Mid (pH 6-8) 4.22 11.45 -28.43 2 5 1 60 345.213 2 ↓

Analogs

2400960
2400960
2400961
2400961
542767
542767

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Popular Name: (7R)-7-(2,3-dichlorophenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine (7R)-7-(2,3-dichlorophenyl)-5-ph…

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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) 4.22 10.77 -13.39 0 5 0 56 344.205 2 ↓
Mid Mid (pH 6-8) 4.22 11.46 -28.39 2 5 1 60 345.213 2 ↓

Analogs

542860
542860

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Popular Name: (7R)-5-(4-fluorophenyl)-7-(4-nitrophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (7R)-5-(4-fluorophenyl)-7-(4-nit…

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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) 3.08 10.68 -20.36 0 8 0 102 338.302 3 ↓
Mid Mid (pH 6-8) 3.08 11.25 -46.49 2 8 1 106 339.31 3 ↓

Analogs

542859
542859

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Popular Name: (7S)-5-(4-fluorophenyl)-7-(4-nitrophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (7S)-5-(4-fluorophenyl)-7-(4-nit…

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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) 3.08 10.25 -20.96 0 8 0 102 338.302 3 ↓
Mid Mid (pH 6-8) 3.08 11.25 -46.52 2 8 1 106 339.31 3 ↓

Analogs

13127586
13127586
13127588
13127588
13127607
13127607
13127727
13127727
13127729
13127729

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Popular Name: (7R)-5,7-bis(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (7R)-5,7-bis(4-methoxyphenyl)-6,…

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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) 3.07 8.5 -16.37 0 7 0 74 335.367 4 ↓
Ref Reference (pH 7) 3.07 8.85 -9.11 1 7 0 77 335.367 4 ↓
Mid Mid (pH 6-8) 3.07 9.07 -33.59 2 7 1 79 336.375 4 ↓

Analogs

13127586
13127586
13127588
13127588
13127607
13127607
13127727
13127727
13127729
13127729

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Popular Name: (7S)-5,7-bis(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (7S)-5,7-bis(4-methoxyphenyl)-6,…

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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) 3.07 8.07 -17.26 0 7 0 74 335.367 4 ↓
Ref Reference (pH 7) 3.07 8.84 -9.12 1 7 0 77 335.367 4 ↓
Mid Mid (pH 6-8) 3.07 9.06 -33.58 2 7 1 79 336.375 4 ↓

Parameters Provided:

ring.id = 114781
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 = 114781 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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