UCSF

ZINC05488928

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 26 Yes

Popular Name: 3-(4-chlorophenyl)-5-oxo-2,5-diphenylpentanenitrile 3-(4-chlorophenyl)-5-oxo-2,5-dip…

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CAS Number: 135885-95-9

Other Names:

MFCD00954821

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) 6.33 4.21 -15.3 0 2 0 40 359.856 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 145 - 148 KeyOrganics

Activity (Go SEA)

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