UCSF

ZINC12358664

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 5 Yes

Popular Name: Crotyl alcohol Crotyl alcohol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4088-60-2 , 6117-91-5 , [4088-60-2]

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) 0.58 0.13 -3.03 1 1 0 20 72.107 1 ↓

Vendor Notes

Note Type Comments Provided By
bp 120 - 121 MolMall (formerly Molecular Diversity Preservation International)
Boiling_Point 121-122? Alfa-Aesar
Boiling_Point 121-122° Alfa-Aesar
PUBCHEM_PATENT_ID US5759347; US5846381 IBM Patent Data

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

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