UCSF

ZINC23363454

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 12 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) -0.51 0.33 -45.94 3 3 1 44 166.248 3
Hi High (pH 8-9.5) -0.51 2.15 -36.54 3 3 1 43 166.248 3
Hi High (pH 8-9.5) -0.51 0.46 -3.65 2 3 0 42 165.24 3
Lo Low (pH 4.5-6) -0.51 2.51 -117.12 4 3 2 45 167.256 3

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% )