UCSF

ZINC04095721

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 29 No

CAS Number: 474-62-4

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) 8.31 13.14 -1.44 1 1 0 20 400.691 5

Vendor Notes

Note Type Comments Provided By
UniProt Database Links DIM_ARATH; LCAT2_ARATH; SC5D1_ARATH; SC5D_TOBAC; U80A2_ARATH; U80B1_ARATH ChEBI
PUBCHEM_PATENT_ID EP0004848A2; EP0004913A1; EP0007474A1; EP0008214A1; EP0011235A1; EP0016380A1; EP0024642A1; EP0026927A1; EP0033439A1; EP0050325A2; EP0053415A1; EP0057075A1; EP0077555A2; EP0089205A2; EP0092076A2; EP0092085A2; EP0093341A2; EP0105092A2; EP0123734A1; EP012373 IBM Patent Data
Patent Database Links EP1046396; EP1525882; EP1616562; EP1632137; EP1693376; EP1707572; EP1810694; EP1834628; EP1857112; EP1985308; US2003120095; US2003195367; US2005033027; US2007196440; US2007249574; US2007254026; US2007254859; US2008070981; WO2007112572; WO2007112573; WO200 ChEBI

Activity (Go SEA)

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