UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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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) 2.83 9.43 -13.58 1 9 0 100 373.413 8 ↓
Hi High (pH 8-9.5) 2.08 8.34 -32.85 0 9 -1 107 372.405 7 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 3.57 11.07 -13.17 1 9 0 100 401.467 9 ↓
Lo Low (pH 4.5-6) 3.74 11.23 -34.58 2 9 1 105 402.475 9 ↓

Analogs

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Popular Name: propyl propyl

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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) 3.71 11.16 -13 1 9 0 100 401.467 10 ↓
Lo Low (pH 4.5-6) 3.88 11.32 -34.84 2 9 1 105 402.475 10 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.83 9.41 -13.83 1 9 0 100 373.413 8 ↓
Hi High (pH 8-9.5) 2.08 8.33 -33.02 0 9 -1 107 372.405 7 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 3.57 11.06 -13.55 1 9 0 100 401.467 9 ↓
Lo Low (pH 4.5-6) 3.74 11.22 -34.59 2 9 1 105 402.475 9 ↓

Analogs

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Popular Name: propyl propyl

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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) 3.71 11.14 -13.33 1 9 0 100 401.467 10 ↓
Lo Low (pH 4.5-6) 3.88 11.31 -34.86 2 9 1 105 402.475 10 ↓

Analogs

13110800
13110800

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Popular Name: ethyl 7-(2-chlorophenyl)-5-methyl-4,7-dihydrotetraazolo[1,5-a]pyrimidine-6-carboxylate ethyl 7-(2-chlorophenyl)-5-methy…

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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) 2.75 9.04 -12.74 1 7 0 82 319.752 4 ↓
Lo Low (pH 4.5-6) 2.93 9.33 -30.47 2 7 1 87 320.76 4 ↓

Analogs

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Popular Name: (7S)-7-(2-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic-acid-benzyl-este (7S)-7-(2-chlorophenyl)-5-methyl…

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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) 3.97 11.97 -9.85 1 7 0 82 381.823 5 ↓
Lo Low (pH 4.5-6) 4.14 10.99 -28.5 2 7 1 87 382.831 5 ↓

Analogs

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Popular Name: (7R)-7-(2-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic-acid-benzyl-este (7R)-7-(2-chlorophenyl)-5-methyl…

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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) 3.97 11.97 -9.84 1 7 0 82 381.823 5 ↓
Lo Low (pH 4.5-6) 4.14 10.99 -28.65 2 7 1 87 382.831 5 ↓

Analogs

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Popular Name: (7S)-7-(2-chlorophenyl)-5-methyl-N-(3-pyridyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (7S)-7-(2-chlorophenyl)-5-methyl…

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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) 2.24 7.95 -10.92 2 8 0 98 367.8 3 ↓
Hi High (pH 8-9.5) 2.43 7.27 -40.93 1 8 -1 104 366.792 3 ↓
Lo Low (pH 4.5-6) 2.24 0.36 -39.2 3 8 1 98 368.808 3 ↓

Analogs

38223067
38223067
38223068
38223068
38223069
38223069
38223070
38223070

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Popular Name: (7R)-7-(4-benzoxy-3-bromo-5-methoxy-phenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxy (7R)-7-(4-benzoxy-3-bromo-5-meth…

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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) 3.92 11.53 -12.54 1 9 0 100 486.326 7 ↓

Analogs

16577374
16577374

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Popular Name: (7S)-7-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxa (7S)-7-(2-fluorophenyl)-N-(4-met…

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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) 2.86 8.56 -11 2 8 0 94 380.383 4 ↓

Analogs

16577372
16577372

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Popular Name: (7R)-7-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxa (7R)-7-(2-fluorophenyl)-N-(4-met…

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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) 2.86 8.22 -19.97 2 8 0 94 380.383 4 ↓

Analogs

16578066
16578066

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Popular Name: (7S)-5-methyl-7-(1-methylpyrrol-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (7S)-5-methyl-7-(1-methylpyrrol-…

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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) 1.91 8.26 -14.51 2 8 0 90 335.371 3 ↓

Analogs

16578063
16578063

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Popular Name: (7R)-5-methyl-7-(1-methylpyrrol-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (7R)-5-methyl-7-(1-methylpyrrol-…

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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) 1.91 8.41 -10.62 2 8 0 90 335.371 3 ↓

Analogs

16578701
16578701
4965956
4965956
4965958
4965958
646448
646448
646449
646449

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Popular Name: (7R)-N-(4-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (7R)-N-(4-methoxyphenyl)-5-methy…

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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) 2.74 8.49 -11.59 2 8 0 94 362.393 4 ↓

Analogs

4965956
4965956
4965958
4965958
16578699
16578699
646448
646448

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Popular Name: (7S)-N-(4-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (7S)-N-(4-methoxyphenyl)-5-methy…

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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) 2.74 8.48 -11.23 2 8 0 94 362.393 4 ↓

Parameters Provided:

ring.id = 3185
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 = 3185 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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