UCSF

ZINC00080395

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 15 Yes

Popular Name: 1,2-dihydroacenaphthylene-5-carboxylic acid 1,2-dihydroacenaphthylene-5-carb…

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 55720-22-4 , [55720-22-4] , [55721-65-8]

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) 2.79 0.56 -58.38 0 2 -1 40 197.213 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 220 - 223 Enamine Building Blocks
MP 220...223 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

No pre-computed analogs available. Try a structural similarity search.