UCSF

ZINC19278704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 13 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) 0.45 -0.16 -2.04 2 3 0 38 184.283 1
Mid Mid (pH 6-8) 0.45 2.62 -123.92 4 3 2 41 186.299 1
Lo Low (pH 4.5-6) 0.45 2.12 -29.35 3 3 1 40 185.291 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% )