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Popular Name: 2-[5-(2-thienylmethyl)tetrazol-1-yl]ethanamine 2-[5-(2-thienylmethyl)tetrazol-1…

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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) 0.09 2.25 -61.5 3 5 1 71 210.286 4 ↓
Hi High (pH 8-9.5) 0.09 1.86 -9.4 2 5 0 70 209.278 4 ↓

Analogs

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Popular Name: 3-[5-(2-thienylmethyl)tetrazol-1-yl]propan-1-amine 3-[5-(2-thienylmethyl)tetrazol-1…

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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) 0.36 3.01 -58.82 3 5 1 71 224.313 5 ↓

Analogs

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Popular Name: 2-[5-(2-thienylmethyl)tetrazol-1-yl]acetic 2-[5-(2-thienylmethyl)tetrazol-1…

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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 4.98 -42.1 0 6 -1 84 223.237 4 ↓

Analogs

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Popular Name: 3-[5-(2-thienylmethyl)tetrazol-1-yl]propanoic 3-[5-(2-thienylmethyl)tetrazol-1…

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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) 0.80 5.53 -40.86 0 6 -1 84 237.264 5 ↓

Analogs

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Popular Name: 4-[5-(2-thienylmethyl)tetrazol-1-yl]butanoic 4-[5-(2-thienylmethyl)tetrazol-1…

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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) 1.07 6.34 -46.88 0 6 -1 84 251.291 6 ↓

Analogs

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Popular Name: (R)-(3-methyl-2-thienyl)-(1H-tetrazol-5-yl)methanamine (R)-(3-methyl-2-thienyl)-(1H-tet…

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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) 0.59 0.36 -36.88 3 5 0 80 195.251 2 ↓
Mid Mid (pH 6-8) 0.59 0.02 -36.62 2 5 -1 79 194.243 2 ↓

Analogs

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Popular Name: (S)-(3-methyl-2-thienyl)-(1H-tetrazol-5-yl)methanamine (S)-(3-methyl-2-thienyl)-(1H-tet…

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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) 0.59 0.35 -37.11 3 5 0 80 195.251 2 ↓
Mid Mid (pH 6-8) 0.59 0.02 -38.53 2 5 -1 79 194.243 2 ↓

Analogs

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Popular Name: (R)-(5-methyl-2-thienyl)-(1H-tetrazol-5-yl)methanamine (R)-(5-methyl-2-thienyl)-(1H-tet…

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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) 0.44 0.66 -37.26 3 5 0 80 195.251 2 ↓
Mid Mid (pH 6-8) 0.44 0.32 -36.6 2 5 -1 79 194.243 2 ↓

Analogs

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Popular Name: (S)-(5-methyl-2-thienyl)-(1H-tetrazol-5-yl)methanamine (S)-(5-methyl-2-thienyl)-(1H-tet…

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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) 0.44 0.66 -37.3 3 5 0 80 195.251 2 ↓
Mid Mid (pH 6-8) 0.44 0.32 -38.56 2 5 -1 79 194.243 2 ↓

Analogs

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Popular Name: (R)-(4-bromo-2-thienyl)-(1H-tetrazol-5-yl)methanamine (R)-(4-bromo-2-thienyl)-(1H-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) 0.95 0.44 -38.42 3 5 0 80 260.12 2 ↓
Mid Mid (pH 6-8) 0.95 0.1 -33.68 2 5 -1 79 259.112 2 ↓

Analogs

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Popular Name: (S)-(4-bromo-2-thienyl)-(1H-tetrazol-5-yl)methanamine (S)-(4-bromo-2-thienyl)-(1H-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) 0.95 0.44 -38.41 3 5 0 80 260.12 2 ↓
Mid Mid (pH 6-8) 0.95 0.11 -35.79 2 5 -1 79 259.112 2 ↓

Analogs

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Popular Name: (R)-(5-bromo-2-thienyl)-(1H-tetrazol-5-yl)methanamine (R)-(5-bromo-2-thienyl)-(1H-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) 1.15 0.56 -38.17 3 5 0 80 260.12 2 ↓
Mid Mid (pH 6-8) 1.15 0.22 -33.28 2 5 -1 79 259.112 2 ↓

Analogs

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Popular Name: (S)-(5-bromo-2-thienyl)-(1H-tetrazol-5-yl)methanamine (S)-(5-bromo-2-thienyl)-(1H-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) 1.15 0.56 -38.15 3 5 0 80 260.12 2 ↓
Mid Mid (pH 6-8) 1.15 0.22 -35.35 2 5 -1 79 259.112 2 ↓

Parameters Provided:

ring.id = 27356
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 = 27356 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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