UCSF

ZINC02031630

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 8 Yes

Popular Name: 5-METHYL-2-HEXANOL 5-METHYL-2-HEXANOL

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CAS Number: 627-59-8

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) 1.97 2.47 -2.1 1 1 0 20 116.204 3 ↓

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