UCSF

ZINC57218820

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2011 9 Yes

Other Names:

MFCD11043141

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) 0.02 -2.4 -13.24 2 3 0 60 163.12 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 97 - 99 Enamine Building Blocks
MP 97...99 Enamine Building Blocks
PUBCHEM_PATENT_ID EP0496106A1; EP0496106B1; EP0683160A1; EP0732220A1; EP1049677A1; US5230893; US5521145; US5814580; US5864043; WO1999037621A1; WO2000007997A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.