UCSF

ZINC49551675

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 16 No

Popular Name: 3-(2-Chloroethyl)-6-fluoroquinazoline-2,4(1H,3H)-dione 3-(2-Chloroethyl)-6-fluoroquinaz…

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CAS Numbers: , 1246061-38-0

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) 0.47 4.69 -8.72 1 4 0 55 242.637 2 ↓
Hi High (pH 8-9.5) 0.93 2.83 -32.9 0 4 -1 58 241.629 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

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

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