UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(chloromethyl)-1-(cyclobutylmethyl)tetrazole 5-(chloromethyl)-1-(cyclobutylme…

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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) 1.04 4.68 -10.19 0 4 0 44 186.646 3 ↓

Analogs

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Popular Name: N-[[1-(cyclobutylmethyl)tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-(cyclobutylmethyl)tetrazol…

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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) 1.15 5.48 -52.79 2 5 1 60 224.332 6 ↓
Hi High (pH 8-9.5) 1.15 4.28 -7.66 1 5 0 56 223.324 6 ↓

Analogs

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Popular Name: N-[[1-(cyclobutylmethyl)tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-(cyclobutylmethyl)tetrazol…

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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) 0.01 3.17 -53.95 2 6 1 69 226.304 7 ↓
Mid Mid (pH 6-8) 0.01 1.83 -9.8 1 6 0 65 225.296 7 ↓

Analogs

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Popular Name: [1-(cyclobutylmethyl)tetrazol-5-yl]methanamine [1-(cyclobutylmethyl)tetrazol-5-…

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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) -0.35 1.52 -58.93 3 5 1 71 168.224 3 ↓
Hi High (pH 8-9.5) -0.35 1.08 -9.23 2 5 0 70 167.216 3 ↓

Analogs

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Popular Name: 1-[1-(cyclobutylmethyl)tetrazol-5-yl]-N-methyl-methanamine 1-[1-(cyclobutylmethyl)tetrazol-…

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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) 0.03 3.18 -53.4 2 5 1 60 182.251 4 ↓
Hi High (pH 8-9.5) 0.03 1.75 -8.03 1 5 0 56 181.243 4 ↓

Analogs

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Popular Name: N-[[1-(cyclobutylmethyl)tetrazol-5-yl]methyl]ethanamine N-[[1-(cyclobutylmethyl)tetrazol…

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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) 0.40 4.04 -52.29 2 5 1 60 196.278 5 ↓
Hi High (pH 8-9.5) 0.40 2.68 -7.86 1 5 0 56 195.27 5 ↓

Analogs

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Popular Name: N-[[1-(cyclobutylmethyl)tetrazol-5-yl]methyl]propan-1-amine N-[[1-(cyclobutylmethyl)tetrazol…

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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) 0.90 4.79 -53.19 2 5 1 60 210.305 6 ↓
Hi High (pH 8-9.5) 0.90 3.44 -7.74 1 5 0 56 209.297 6 ↓

Analogs

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Popular Name: N-[[1-(cyclobutylmethyl)tetrazol-5-yl]methyl]propan-2-amine N-[[1-(cyclobutylmethyl)tetrazol…

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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) 0.70 4.57 -50.37 2 5 1 60 210.305 5 ↓
Hi High (pH 8-9.5) 0.70 3.38 -7.77 1 5 0 56 209.297 5 ↓

Analogs

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Popular Name: N-[[1-(cyclobutylmethyl)tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-(cyclobutylmethyl)tetrazol…

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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) 1.21 4.97 -47.02 2 5 1 60 224.332 5 ↓
Hi High (pH 8-9.5) 1.21 3.76 -7.51 1 5 0 56 223.324 5 ↓

Analogs

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Popular Name: 1-(cyclobutylmethyl)tetrazole-5-thiol 1-(cyclobutylmethyl)tetrazole-5-…

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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) 1.08 4.02 -34.69 0 4 -1 44 169.233 2 ↓

Analogs

42865985
42865985
42865988
42865988
42865991
42865991
42865994
42865994

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Popular Name: 2-[1-(cyclobutylmethyl)tetrazol-5-yl]sulfanylacetic 2-[1-(cyclobutylmethyl)tetrazol-…

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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) 0.53 5.36 -40.2 0 6 -1 84 227.269 5 ↓

Parameters Provided:

ring.id = 151587
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 = 151587 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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