UCSF

ZINC01765846

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 Yes

Popular Name: 4-Methyl-4-phenylpentan-2-ol 4-Methyl-4-phenylpentan-2-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2035-93-0 , [2035-93-0]

Other Names:

MFCD00087654

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) 3.09 0.41 -3.13 1 1 0 20 178.275 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0663904A1; US5486533; WO1994008978A1 IBM Patent Data

Activity (Go SEA)

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