UCSF

ZINC34496756

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 10 Yes

Other Names:

MFCD27954055

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) 2.72 5 -35.26 2 1 1 17 142.266 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0804434A1; EP0861244A1; EP0906308A1; US5110818; US5204353; US5854268; US5998440; US6127388; WO1996004274A1; WO1997018201A1; WO1997045426A1; WO1999065908A1 IBM Patent Data

Activity (Go SEA)

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