UCSF

ZINC12958401

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 22 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) -1.56 -0.16 -144.58 3 11 -2 172 329.209 4
Lo Low (pH 4.5-6) -1.56 0.1 -149.39 4 11 -1 173 330.217 4
Lo Low (pH 4.5-6) -1.56 -4.28 -147.14 4 11 -1 173 330.217 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0519053A1; EP0519053B1; EP0549615A1; EP0604409A1; EP0724647A1; EP0928419A1; EP0977767A1; US4990499; US5660985; US5670633; US5856099; US5859221; US5872232; US5958691; US6005087; US6090589; US6127533; WO1991010671A1; WO1992003568A1; WO1992012261A1; WO1995 IBM Patent Data

Activity (Go SEA)

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