UCSF

ZINC19269461

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 13 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) 0.98 3.38 -10.65 1 3 0 46 175.187 1
Hi High (pH 8-9.5) 1.94 2.06 -48.86 1 3 -1 56 174.179 1

Vendor Notes

Note Type Comments Provided By
MP 217 - 219 Enamine Building Blocks
MP 217...219 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0156603A2; EP0164860A1; EP0175551A1; EP0244918A2; US4556672; US4569942; US4652658; US4658037; US4665194; US4690943; US4721712; US4752609; US4808601; US6051593; US6114371; US6130238; WO1998050356A1; WO1999048868A2; WO1999061422A1; WO2000008202A2 IBM Patent Data

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