UCSF

ZINC01588030

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 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) 0.58 0.63 -18.48 1 3 0 46 177.203 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0060120A1; EP0132394A1; EP0676398A2; EP0676398A3; EP0745600A1; EP1022274A1; US4052387; US4058521; US4159266; US4368156; US4500456; US4558123; US5624935; US5739345; US5834501; US5886014; US5977365; US6117893 IBM Patent Data

Activity (Go SEA)

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