UCSF

ZINC19976944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 16 Yes

Other Names:

MFCD10011194

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) -0.67 0.08 -39.68 3 5 1 55 230.332 6
Hi High (pH 8-9.5) -0.67 -0.83 -39.26 3 5 1 58 230.332 6
Hi High (pH 8-9.5) -0.67 -1.86 -8.05 2 5 0 54 229.324 6
Lo Low (pH 4.5-6) -0.67 1.47 -111.51 4 5 2 59 231.34 6

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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