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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethylphenyl)methyleneamino]-1H-tetrazol-5-amine N-[(4-ethylphenyl)methyleneamino…

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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) 1.78 6.39 -44.28 1 6 -1 77 215.24 4 ↓
Lo Low (pH 4.5-6) 1.78 6.52 -10.1 2 6 0 79 216.248 4 ↓

Analogs

4761484
4761484

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Popular Name: 4-tert-butyl-2-methyl-6-[(Z)-(2H-tetrazol-5-ylhydrazono)methyl]phenol 4-tert-butyl-2-methyl-6-[(Z)-(2H…

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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) 2.65 5.19 -44.44 2 7 -1 97 273.32 4 ↓
Lo Low (pH 4.5-6) 2.65 5.31 -10.03 3 7 0 99 274.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4,5-trimethoxyphenyl)methyleneamino]-1H-tetrazol-5-amine N-[(3,4,5-trimethoxyphenyl)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) 0.50 4.12 -44.67 1 9 -1 105 277.264 6 ↓
Lo Low (pH 4.5-6) 0.50 4.25 -14.75 2 9 0 107 278.272 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(Z)-(5-chloro-2-methoxy-phenyl)methyleneamino]-1H-tetrazol-5-amine N-[(Z)-(5-chloro-2-methoxy-pheny…

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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) 1.53 4.78 -45.16 1 7 -1 86 251.657 4 ↓
Lo Low (pH 4.5-6) 1.53 4.9 -10.12 2 7 0 88 252.665 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(Z)-(2-bromophenyl)methyleneamino]-1H-tetrazol-5-amine N-[(Z)-(2-bromophenyl)methylenea…

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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) 1.62 5.43 -40.62 1 6 -1 77 266.082 3 ↓
Lo Low (pH 4.5-6) 1.62 5.55 -9.35 2 6 0 79 267.09 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(Z)-(3-bromo-4-methoxy-phenyl)methyleneamino]-1H-tetrazol-5-amine N-[(Z)-(3-bromo-4-methoxy-phenyl…

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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) 1.66 4.92 -41.6 1 7 -1 86 296.108 4 ↓
Lo Low (pH 4.5-6) 1.66 5.04 -11.99 2 7 0 88 297.116 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methyleneamino]-1H-tetrazol-5-amine N-[(Z)-[3-bromo-4-(dimethylamino…

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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) 1.70 6.76 -41.08 1 7 -1 80 309.151 4 ↓
Lo Low (pH 4.5-6) 1.70 6.88 -10.26 2 7 0 82 310.159 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dimethoxy-4-[(Z)-(1H-tetrazol-5-ylhydrazono)methyl]phenol 2,6-dimethoxy-4-[(Z)-(1H-tetrazo…

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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) 0.22 2.02 -44.79 2 9 -1 116 263.237 5 ↓
Lo Low (pH 4.5-6) 0.22 2.13 -14.78 3 9 0 118 264.245 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4-chloro-6-[(Z)-(1H-tetrazol-5-ylhydrazono)methyl]phenol 2-bromo-4-chloro-6-[(Z)-(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) 1.99 3.3 -42.04 2 7 -1 97 316.526 3 ↓
Mid Mid (pH 6-8) 1.99 4.05 -82.15 1 7 -2 100 315.518 3 ↓
Lo Low (pH 4.5-6) 1.99 3.42 -10.59 3 7 0 99 317.534 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(Z)-(5-bromo-2-ethoxy-phenyl)methyleneamino]-1H-tetrazol-5-amine N-[(Z)-(5-bromo-2-ethoxy-phenyl)…

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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 5.82 -44.41 1 7 -1 86 310.135 5 ↓
Lo Low (pH 4.5-6) 2.03 5.95 -9.77 2 7 0 88 311.143 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-6-[(Z)-(1H-tetrazol-5-ylhydrazono)methyl]phenol 2-methoxy-6-[(Z)-(1H-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) 0.41 2.08 -43.29 2 8 -1 107 233.211 4 ↓
Hi High (pH 8-9.5) 0.41 3 -94.04 1 8 -2 109 232.203 4 ↓
Lo Low (pH 4.5-6) 0.41 2.21 -12.39 3 8 0 108 234.219 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-4-[(Z)-(1H-tetrazol-5-ylhydrazono)methyl]phenol 2-ethoxy-4-[(Z)-(1H-tetrazol-5-y…

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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) 0.58 3.03 -44.25 2 8 -1 107 247.238 5 ↓
Lo Low (pH 4.5-6) 0.58 3.15 -13.45 3 8 0 108 248.246 5 ↓

Analogs

30731396
30731396
36022148
36022148
3897267
3897267

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyleneamino]-1H-tetrazol-5-amine N-[(3,4-dimethoxyphenyl)methylen…

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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) 0.51 4.18 -45.12 1 8 -1 96 247.238 5 ↓

Analogs

27692331
27692331
5425659
5425659

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dibromo-6-[(Z)-(1H-tetrazol-5-ylhydrazono)methyl]phenol 2,4-dibromo-6-[(Z)-(1H-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) 2.12 3.4 -41.97 2 7 -1 97 360.977 3 ↓
Lo Low (pH 4.5-6) 2.12 3.61 -16.8 3 7 0 99 361.985 3 ↓

Analogs

4150948
4150948

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyleneamino]-1H-tetrazol-5-amine N-[(4,5-dimethoxy-2-nitro-phenyl…

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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 4.57 -39.94 1 11 -1 141 292.235 6 ↓

Analogs

4714566
4714566

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(Z)-(1H-tetrazol-5-ylhydrazono)methyl]phenoxy]acetonitrile 2-[2-[(Z)-(1H-tetrazol-5-ylhydra…

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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) 0.66 4.96 -51.19 1 8 -1 110 242.222 5 ↓

Parameters Provided:

ring.id = 52320
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 = 52320 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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