UCSF

ZINC00401227

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: 2-benzylpropane-1,3-diol 2-benzylpropane-1,3-diol

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CAS Numbers: 1570-95-2 , 2612-30-8

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) 1.22 -2.76 -6.44 2 2 0 40 166.22 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 53-56? Alfa-Aesar
Melting_Point 53-56° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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