UCSF

ZINC00391251

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: 2-Methyl-2-propyl-1,3-propanediol 2-Methyl-2-propyl-1,3-propanediol

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CAS Numbers: 78-26-2 , [78-26-2]

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) 1.10 -1.01 -3.51 2 2 0 40 132.203 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 57 TCI
MP 58 - 60 Enamine Building Blocks
MP 58...60 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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