UCSF

ZINC06578890

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 9 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.62 -0.06 -4.42 2 2 0 40 124.139 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0005091A1; EP0009298A1; EP0009362A1; EP0027930A2; EP0028355A1; EP0030174A1; EP0032681A2; EP0035268A1; EP0037934A2; EP0046161A2; EP0053407A2; EP0063180A1; EP0065743A1; EP0072482A2; EP0091756A2; EP0102062A2; EP0116889A1; EP0122855A1; EP0132729A2; EP013531 IBM Patent Data
PUBCHEM_PATENT_ID EP0010420A1; EP0254078A1; EP0804428A1; EP0813519A1; EP0813542A1; EP0861233B1; EP0861249A1; EP1052250A1; US5705500; US5753660; US5756533; US5776971; US5847201; US5939587; US5965601; US5968970; US5972989; US5985870; US5998414; US6063795; US6140505; US614374 IBM Patent Data
PUBCHEM_PATENT_ID EP0892795A1; US4619943; US5290536; US5703108; US5948786; WO1997038992A1; WO1998027077A1; WO1998041521A1; WO1998042702A1; WO2000008005A2; WO2000023444A1; WO2000069831A1 IBM Patent Data

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