UCSF

ZINC04998083

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 15 Yes

Popular Name: 3-(1-Adamantyl)-3-oxopropanenitrile 3-(1-Adamantyl)-3-oxopropanenitrile

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CAS Numbers: , 23938-42-3 , [23938-42-3]

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) 1.88 7.35 -12.74 0 2 0 41 203.285 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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