UCSF

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Overview

dunn (Public by scjahn) Download Show All

-Catalogs to Purchase

-Available Catalogs

Asinex 1 Available Email Quote Request

ZINC ID Supplier Code SMILES (Find Similar) Suppliers Score
BAS00928362 c1ccc2c(c1)[nH]c(n2)c3[nH]c4ccccc4n3
18 Z

-Non-Unique/Empty Catalogs

-Ignored Catalogs

Compound Availability

Purchasable:

The following compounds are included in the above report:

# ZINC ID SMILES (Find Similar) Score
1 31318

Analogs

Vendors

And 16 More

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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) 2.89 8.11 -11.6 1 5 0 75 270.288 5
More about ZINC00031318
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Z
2 55213

Analogs

Vendors

And 12 More

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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) 3.41 -0.28 -8.62 0 2 0 25 206.248 1
More about ZINC00055213
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Z
3 97949

Analogs

Vendors

And 13 More

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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) 3.36 5.74 -9.33 2 4 0 57 234.262 1
More about ZINC00097949
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Z
4 226013

Analogs

Vendors

And 16 More

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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) 3.48 0 -15.5 1 5 0 74 239.234 2
More about ZINC00226013
Similar
Z
5 5424098

Analogs

Vendors

Draw Identity 99% 90% 80% 70%

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 3.9 -11.15 2 6 0 80 302.359 4
Lo Low (pH 4.5-6) 2.77 4.34 -30.06 3 6 1 81 303.367 4
Lo Low (pH 4.5-6) 2.77 3.91 -10.54 2 6 0 80 302.359 4
More about ZINC05424098
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Z

Not for Sale:

The following compounds are not availabile from any known vendors:

# ZINC ID SMILES (Find Similar) Score