UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(5-methyltetrazol-1-yl)naphthalene-2-carboxylic 3-(5-methyltetrazol-1-yl)naphtha…

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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) 1.79 7.68 -57.46 0 6 -1 84 253.241 2 ↓

Analogs

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Popular Name: 3-(5-ethyltetrazol-1-yl)naphthalene-2-carboxylic 3-(5-ethyltetrazol-1-yl)naphthal…

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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) 2.36 8.29 -61.81 0 6 -1 84 267.268 3 ↓

Analogs

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

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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) 2.77 8.18 -47.62 2 5 1 60 282.371 5 ↓
Hi High (pH 8-9.5) 2.77 7.49 -8.22 1 5 0 56 281.363 5 ↓

Analogs

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

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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) 1.64 5.87 -48.06 2 6 1 69 284.343 6 ↓
Mid Mid (pH 6-8) 1.64 5.19 -10.2 1 6 0 65 283.335 6 ↓

Analogs

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Popular Name: [1-(2-naphthyl)tetrazol-5-yl]methanamine [1-(2-naphthyl)tetrazol-5-yl]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) 1.28 3.99 -53.8 3 5 1 71 226.263 2 ↓
Hi High (pH 8-9.5) 1.28 3.65 -10.65 2 5 0 70 225.255 2 ↓

Analogs

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Popular Name: N-methyl-1-[1-(2-naphthyl)tetrazol-5-yl]methanamine N-methyl-1-[1-(2-naphthyl)tetraz…

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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) 1.65 5.87 -47.74 2 5 1 60 240.29 3 ↓
Hi High (pH 8-9.5) 1.65 5.13 -8.69 1 5 0 56 239.282 3 ↓

Analogs

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

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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) 2.03 6.72 -46.85 2 5 1 60 254.317 4 ↓
Hi High (pH 8-9.5) 2.03 6.04 -8.41 1 5 0 56 253.309 4 ↓

Analogs

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

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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) 2.53 7.49 -47.52 2 5 1 60 268.344 5 ↓
Hi High (pH 8-9.5) 2.53 6.8 -8.29 1 5 0 56 267.336 5 ↓

Analogs

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

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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) 2.32 7.25 -44.36 2 5 1 60 268.344 4 ↓
Hi High (pH 8-9.5) 2.32 6.72 -8.29 1 5 0 56 267.336 4 ↓

Analogs

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

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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) 2.84 7.68 -41.78 2 5 1 60 282.371 4 ↓
Hi High (pH 8-9.5) 2.84 7.06 -8.05 1 5 0 56 281.363 4 ↓

Analogs

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Popular Name: N1,N1-dimethyl-2-[1-(2-naphthyl)-1H-1,2,3,4-tetraazol-5-yl]eth-1-en-1-amine N1,N1-dimethyl-2-[1-(2-naphthyl)…

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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) 2.33 8.11 -12.02 0 5 0 47 265.32 3 ↓
Mid Mid (pH 6-8) 2.33 9.06 -11.02 0 5 0 47 265.32 3 ↓

Analogs

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Popular Name: (E)-N,N-diethyl-2-[1-(2-naphthyl)tetrazol-5-yl]ethenamine (E)-N,N-diethyl-2-[1-(2-naphthyl…

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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 10.02 -11.57 0 5 0 47 293.374 5 ↓
Mid Mid (pH 6-8) 3.08 8.76 -11.58 0 5 0 47 293.374 5 ↓

Parameters Provided:

ring.id = 91840
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 = 91840 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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