UCSF

ZINC34382294

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 13 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) -0.38 3.73 -46.36 2 4 1 46 179.247 1
Hi High (pH 8-9.5) -0.38 2.44 -6.2 1 4 0 41 178.239 1
Lo Low (pH 4.5-6) -0.38 4.18 -87.94 3 4 2 47 180.255 1

Vendor Notes

Note Type Comments Provided By
MP 52 - 54 Enamine Building Blocks
MP 52...54 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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