UCSF

ZINC35139552

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 8 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) -0.76 -0.26 -44.34 3 3 1 46 117.172 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0031708A2; EP0645390A1; EP0856539A1; EP0912559A1; EP0912570A1; EP0912572A1; US4463173; US5618814; US5986042; WO1998002434A1; WO1998002437A1; WO1998002438A1 IBM Patent Data

Activity (Go SEA)

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