UCSF

ZINC20282547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.28 2.78 -31.29 2 3 1 26 185.291 2
Hi High (pH 8-9.5) 0.28 0.75 -2.91 1 3 0 24 184.283 2
Hi High (pH 8-9.5) 0.28 2.07 -37.08 2 3 1 29 185.291 2
Lo Low (pH 4.5-6) 0.28 4.11 -105.2 3 3 2 30 186.299 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% )