UCSF

ZINC20283738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 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) 1.52 3.94 -10.36 1 4 0 59 201.229 2
Hi High (pH 8-9.5) 1.97 3.03 -45.53 0 4 -1 62 200.221 2
Lo Low (pH 4.5-6) 1.52 4.37 -50.59 2 4 1 60 202.237 2

Vendor Notes

Note Type Comments Provided By
MP 151 - 153 Enamine Building Blocks
MP 151...153 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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