UCSF

ZINC01691171

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 9 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) -0.18 0.97 -6.34 3 4 0 64 124.147 1
Lo Low (pH 4.5-6) -0.18 1.28 -28.49 4 4 1 65 125.155 1
Lo Low (pH 4.5-6) -0.18 -2.45 -27.93 4 4 1 65 125.155 1

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% )