UCSF

ZINC39331396

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 5 No

CAS Number: 18181-80-1

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) 1.27 0.25 -2.38 1 1 0 20 138.992 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4076930; US4231999; US4760135 IBM Patent Data

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

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