UCSF

ZINC71508634

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 14 Yes

Popular Name: 2-[4-(1-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetonitrile 2-[4-(1-methyl-1H-pyrrol-3-yl)-1…

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CAS Number: 1368818-21-6

Other Names:

MFCD21882872

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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 6.14 -12.15 0 3 0 42 203.27 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.