UCSF

ZINC09245901

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 14 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) 2.58 -2.07 -45.85 3 2 1 36 192.282 3

Vendor Notes

Note Type Comments Provided By
MP 263 - 265 Enamine Building Blocks
MP 263...265 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0711760A1; EP0760369A1; EP0882720A1; US5792867; US6127538; US6130332 IBM Patent Data

Activity (Go SEA)

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