UCSF

ZINC34332068

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 26 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) 4.45 7.98 -5.83 2 3 0 50 356.506 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0337938A2; EP0354921A1; EP0354921B1; EP0479867A1; EP0479867B1; EP0496520A1; EP0566566A1; EP0566566B1; EP0737066A1; EP0941077A1; EP1003522A1; EP1021204A2; EP1023055A1; US4402695; US4629449; US4855305; US4961931; US5183815; US5446070; US5656286; US5719197 IBM Patent Data

Activity (Go SEA)

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