UCSF

ZINC78592579

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2012 11 Yes

Popular Name: Pyr-OMe Pyr-OMe

Find On: PubMed — Wikipedia — Google

CAS Number: 4931-66-2

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) -0.24 -0.1 -9.81 1 4 0 48 159.185 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 90?/0.3mm Alfa-Aesar
PUBCHEM_PATENT_ID EP0569592A1; US5506239; US5658926 IBM Patent Data

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

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