UCSF

ZINC20259977

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 Yes

Other Names:

MFCD11172884

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) 0.44 6.4 -47.7 0 3 -1 49 219.26 3

Vendor Notes

Note Type Comments Provided By
MP 84 - 86 Enamine Building Blocks
MP 84...86 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0971878A1; WO1998038156A1 IBM Patent Data

Activity (Go SEA)

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