UCSF

ZINC05821005

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 10 Yes

Popular Name: octane-1,3-diol octane-1,3-diol

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CAS Number: 23433-05-8

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) 1.75 -3.43 -3.35 2 2 0 40 146.23 6 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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