UCSF

ZINC00406926

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 Yes

Popular Name: 1-(4-Methoxyphenyl)-1-butanol 1-(4-Methoxyphenyl)-1-butanol

Find On: PubMed — Wikipedia — Google

CAS Number: 22135-50-8

Other Names:

MFCD06654211

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) 2.62 -0.57 -4.57 1 2 0 29 180.247 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0068250A1; EP0343307A1; US4590291 IBM Patent Data

Activity (Go SEA)

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