UCSF

ZINC34551728

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 13 Yes

Other Names:

MFCD13196025

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) 1.13 5.36 -12.07 1 3 0 38 174.203 1

Vendor Notes

Note Type Comments Provided By
MP 210 - 212 Enamine Building Blocks
MP 210...212 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID WO1999031097A1 IBM Patent Data

Activity (Go SEA)

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

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