UCSF

ZINC01680849

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 15 Yes

Popular Name: 4-Methylbenzhydrol 4-Methylbenzhydrol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 145191-23-7 , 1517-63-1 , [1517-63-1]

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) 3.31 -0.2 -4.58 1 1 0 20 198.265 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 54 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5977062; WO2000059528A1 IBM Patent Data

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