UCSF

ZINC01733114

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 Yes

Popular Name: 2-Adamantanol 2-Adamantanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 700-57-2 , [700-57-2]

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) 2.45 -2 -1.96 1 1 0 20 152.237 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 258 - 265 Acros Organics
Melting_Point 299-303?(sealed tube) Alfa-Aesar
Melting_Point 299-303°(sealed tube) Alfa-Aesar
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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