UCSF

ZINC00101707

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: N-benzylbenzamide N-benzylbenzamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100-46-9 , 1485-70-7

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) 2.53 6.62 -7.82 1 2 0 29 211.264 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 104 - 107 Acros Organics
Melting_Point 104-108? Alfa-Aesar
Melting_Point 104-108° Alfa-Aesar
mp 105 MolMall (formerly Molecular Diversity Preservation International)
Purity 99% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

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