UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(chloromethyl)-1-(1-naphthylmethyl)tetrazole 5-(chloromethyl)-1-(1-naphthylme…

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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 7.65 -12.62 0 4 0 44 258.712 3 ↓

Analogs

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Popular Name: [1-(1-naphthylmethyl)tetrazol-5-yl]methanamine [1-(1-naphthylmethyl)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) 1.36 4.43 -66.75 3 5 1 71 240.29 3 ↓
Hi High (pH 8-9.5) 1.36 4.11 -12.16 2 5 0 70 239.282 3 ↓

Analogs

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

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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) 1.74 6.29 -59.94 2 5 1 60 254.317 4 ↓
Hi High (pH 8-9.5) 1.74 4.86 -10.82 1 5 0 56 253.309 4 ↓

Analogs

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Popular Name: N-[[1-(1-naphthylmethyl)tetrazol-5-yl]methyl]ethanamine N-[[1-(1-naphthylmethyl)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) 2.11 7.15 -59.06 2 5 1 60 268.344 5 ↓
Hi High (pH 8-9.5) 2.11 5.79 -10.66 1 5 0 56 267.336 5 ↓

Analogs

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Popular Name: N-[[1-(1-naphthylmethyl)tetrazol-5-yl]methyl]propan-1-amine N-[[1-(1-naphthylmethyl)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) 2.62 7.9 -60 2 5 1 60 282.371 6 ↓
Hi High (pH 8-9.5) 2.62 6.55 -10.52 1 5 0 56 281.363 6 ↓

Analogs

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Popular Name: N-[[1-(1-naphthylmethyl)tetrazol-5-yl]methyl]propan-2-amine N-[[1-(1-naphthylmethyl)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) 2.41 7.67 -55.55 2 5 1 60 282.371 5 ↓
Hi High (pH 8-9.5) 2.41 6.48 -10.56 1 5 0 56 281.363 5 ↓

Analogs

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Popular Name: 5-tert-butyl-1-(1-naphthylmethyl)tetrazole 5-tert-butyl-1-(1-naphthylmethyl…

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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) 3.88 8.35 -12.25 0 4 0 44 266.348 3 ↓

Parameters Provided:

ring.id = 151607
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 = 151607 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=151607&filter.purchasability=annotated

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