UCSF

ZINC09738198

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2007 17 Yes

Other Names:

MFCD08444427

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) 1.65 -1.5 -13.15 2 5 0 78 251.311 3
Lo Low (pH 4.5-6) 1.65 -1.41 -28.33 3 5 1 79 252.319 3
Lo Low (pH 4.5-6) 1.65 -1.4 -34.37 3 5 1 79 252.319 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% )