UCSF

ZINC37328385

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 No

Popular Name: 1-({4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}methyl)-4-nitro-1H-imidazole 1-({4-chloro-5,6-dimethylthieno[…

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CAS Number: 1097126-83-4

Other Names:

MFCD13656497

Download: MOL2 SDF SMILES Flexibase

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) 2.54 9.6 -15.74 0 7 0 89 323.765 3 ↓
Lo Low (pH 4.5-6) 2.54 10.07 -42.4 1 7 1 91 324.773 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 185 - 187 Enamine Building Blocks
MP 185...187 Enamine Building Blocks
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.