UCSF

ZINC21958222

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 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) 0.03 0.32 -32.5 4 5 1 70 236.295 4
Ref Reference (pH 7) -0.10 0.27 -7.7 3 5 0 71 235.287 3
Ref Reference (pH 7) -0.10 0.47 -7.39 3 5 0 71 235.287 3
Lo Low (pH 4.5-6) -0.10 2.52 -43.14 4 5 1 72 236.295 3
Lo Low (pH 4.5-6) 0.03 2.58 -86.23 5 5 2 72 237.303 4
Lo Low (pH 4.5-6) -0.10 2.74 -44.75 4 5 1 72 236.295 3

Vendor Notes

Note Type Comments Provided By
MP 158 - 160 Enamine Building Blocks
MP 158...160 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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