UCSF

ZINC20352212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 16 Yes

Other Names:

MFCD08699624

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) 1.59 3.99 -8.99 2 3 0 48 218.231 3

Vendor Notes

Note Type Comments Provided By
MP 67 - 69 Enamine Building Blocks
MP 67...69 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0790986A1; EP0790986B1; US5821246; WO1996015118A1 IBM Patent Data

Activity (Go SEA)

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