UCSF

ZINC00076575

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 No

Popular Name: 2-(chloromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one 2-(chloromethyl)-3-[3-(trifluoro…

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CAS Numbers: , 312510-67-1

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) 4.09 3.34 -10.82 0 3 0 34 338.716 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 154 - 157 KeyOrganics

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

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