UCSF

ZINC03399145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 11 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) 0.84 0.19 -8.78 2 4 0 65 150.137 1
Lo Low (pH 4.5-6) 0.84 0.13 -26.9 3 4 1 66 151.145 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 95 - 99 Enamine Building Blocks
Purity 95% Fluorochem
MP 96 - 98 Enamine Building Blocks
MP 96...98 Enamine Building Blocks

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.