UCSF

ZINC20054134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 11 Yes

Other Names:

MFCD11099617

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) 0.03 3.56 -96.56 3 3 2 30 162.277 7
Mid Mid (pH 6-8) 0.03 2.07 -34.6 2 3 1 26 161.269 7
Mid Mid (pH 6-8) 0.03 1.03 -36.34 2 3 1 29 161.269 7

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% )