UCSF

ZINC56897621

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 42 No

Popular Name: nab- nab-

Find On: PubMed — Wikipedia — Google

CAS Number: 58019-50-4

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) 8.59 19.68 -43.18 1 5 1 43 577.874 13 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4042694 IBM Patent Data

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Rings

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

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