UCSF

ZINC34321016

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 12 No

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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) 2.56 5.18 -34.29 2 1 1 17 162.256 2
Hi High (pH 8-9.5) 2.56 3.65 -2.78 1 1 0 22 161.248 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5194644; US5238955 IBM Patent Data

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