UCSF

ZINC20285744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 12 No

Other Names:

MFCD09040664

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) 0.21 1.59 -8.36 3 3 0 51 179.248 2
Mid Mid (pH 6-8) 0.21 1.36 -49.76 4 3 1 53 180.256 2
Lo Low (pH 4.5-6) 0.21 2.14 -41.77 4 3 1 56 180.256 2

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% )