UCSF

ZINC20268591

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) 0.63 1.25 -45.37 4 4 1 63 254.741 3
Hi High (pH 8-9.5) 0.63 -0.17 -9.08 3 4 0 58 253.733 3
Lo Low (pH 4.5-6) 0.63 1.75 -34.52 4 4 1 60 254.741 3

Vendor Notes

Note Type Comments Provided By
MP 266 - 268 Enamine Building Blocks
MP 266...268 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )