UCSF

ZINC14631409

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 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) 2.20 5.71 -40.25 2 2 1 26 192.282 3

Vendor Notes

Note Type Comments Provided By
MP 213 - 215 Enamine Building Blocks
MP 213...215 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5849736; US5935598; US5961483 IBM Patent Data

Activity (Go SEA)

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