UCSF

ZINC22165622

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 Yes

Other Names:

MFCD09728810

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) 0.67 5.18 -55.55 4 3 1 57 241.314 3
Hi High (pH 8-9.5) 0.67 4.89 -10.98 3 3 0 55 240.306 3

Vendor Notes

Note Type Comments Provided By
MP 115 - 117 Enamine Building Blocks
MP 115...117 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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