UCSF

ZINC28090723

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 18 Yes

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Vendors

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) 0.19 2.53 -10.26 0 6 0 65 249.27 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0858451A1; US5883102; WO1997014686A1 IBM Patent Data

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