UCSF

ZINC13547701

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 27 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) -3.49 -3.65 -263.06 3 15 -3 235 425.163 6
Hi High (pH 8-9.5) -3.04 -5.73 -323.85 2 15 -4 238 424.155 6
Mid Mid (pH 6-8) -3.49 -4.8 -142.92 4 15 -2 232 426.171 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0346865A2; EP0781851A3; EP1008657A2; EP1009854A1; US4587044; US4826824; US4845028; US5219732; US5891702; US5952203; US6103487; WO1991000346A1; WO1992001781A1; WO1998046784A1; WO1999010523A1; WO1999010524A1; WO2000016626A1; WO2000025789A1; WO2000059930A1 IBM Patent Data

Activity (Go SEA)

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