UCSF

ZINC00404457

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 Yes

Popular Name: 2-benzylbenzoic acid 2-benzylbenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Number: 612-35-1

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) 3.42 9.15 -50.27 0 2 -1 40 211.24 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 112 - 115 Enamine Building Blocks
MP 112...115 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID WO1996022966A1 IBM Patent Data

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