UCSF

ZINC19265525

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 11 No

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) 1.31 2.9 -3.61 3 2 0 38 191.061 2
Mid Mid (pH 6-8) 1.31 2.69 -47.12 4 2 1 40 192.069 2
Mid Mid (pH 6-8) 1.31 3.46 -37.57 4 2 1 43 192.069 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% )