UCSF

ZINC00000078

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: Benzyl dl-mandelate Benzyl dl-mandelate

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CAS Numbers: 62173-99-3 , 80409-16-1 , 890-98-2 , 97415-09-3

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) 2.58 7.58 -6.66 1 3 0 47 242.274 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 107 TCI
MP 95 TCI

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Rings

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