UCSF

ZINC52537255

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 32 Yes

Popular Name: tert-butyl 4-[1-(3-fluorobenzyl)-2-oxo-1,2,3,4-tetrahydro-5-quinazolinyl]tetrahydro-1(2H)-pyrazinecarboxylate tert-butyl 4-[1-(3-fluorobenzyl)…

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CAS Number: 1211312-10-5

Other Names:

MFCD16628300

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) 3.80 10.52 -14.17 1 7 0 65 440.519 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 223 - 224 KeyOrganics

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Rings

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

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