UCSF

ZINC02541485

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 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) -0.47 -0.47 -51.65 5 3 1 71 157.237 2

Vendor Notes

Note Type Comments Provided By
MP 226 - 228 Enamine Building Blocks
MP 226...228 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0585130B1; EP1009758A1; US5690914; WO1999011658A1; WO2000051973A1 IBM Patent Data

Activity (Go SEA)

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