UCSF

ZINC36459454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 13 No

Other Names:

MFCD12767516

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) 3.25 5.29 -5.17 2 2 0 39 196.319 2
Mid Mid (pH 6-8) 3.25 5.72 -25.36 3 2 1 40 197.327 2

Vendor Notes

Note Type Comments Provided By
MP 78 - 80 Enamine Building Blocks
MP 78...80 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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