UCSF

ZINC05923041

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 8 Yes

Popular Name: 2,4-Hexanediol 2,4-Hexanediol

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CAS Number: 19780-90-6

Other Names:

MFCD00046673

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) 0.55 -0.08 -3.31 2 2 0 40 118.176 3 ↓

Activity (Go SEA)

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