UCSF

ZINC12364267

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 18 Yes

Popular Name: 3-[(Acetylamino)methyl]adamantane-1-carboxylic acid 3-[(Acetylamino)methyl]adamantan…

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CAS Numbers: , 696653-76-6

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) 1.16 6.12 -58.58 1 4 -1 69 250.318 3 ↓
Lo Low (pH 4.5-6) 1.16 4.14 -12.45 2 4 0 66 251.326 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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