UCSF

ZINC43388723

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 12 Yes

Other Names:

MFCD16069482

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) 0.70 0.83 -51.18 4 2 1 48 190.625 2
Hi High (pH 8-9.5) 0.70 0.45 -4.68 3 2 0 46 189.617 2

Vendor Notes

Note Type Comments Provided By
MP 54 - 56 Enamine Building Blocks
MP 54...56 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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