UCSF

ZINC03866435

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 14 Yes

Popular Name: 1-(1-Adamantyl)propan-1-amine 1-(1-Adamantyl)propan-1-amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1483-12-1 , 60196-90-9 , [60196-90-9]

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) 2.99 5.81 -42.45 3 1 1 28 194.342 2 ↓
Mid Mid (pH 6-8) 4.87 11.75 -5.85 0 3 0 17 364.464 5 ↓
Mid Mid (pH 6-8) 4.87 13.36 -40.97 1 3 1 19 365.472 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
biological_use Virucide IBScreen Bioactives

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