UCSF

ZINC03895606

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 14 Yes

Popular Name: 2-(1-adamantyl)propan-2-ol 2-(1-adamantyl)propan-2-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 775-64-4 , [775-64-4]

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) 3.43 -0.89 -1.93 1 1 0 20 194.318 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 75 Acros Organics
MP 80 - 84 Enamine Building Blocks
MP 81 - 83 Enamine Building Blocks
MP 81...83 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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