UCSF

ZINC41206122

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 14 No

Other Names:

MFCD16303588

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) 0.58 2.83 -8.44 1 3 0 46 193.177 1
Mid Mid (pH 6-8) 0.77 0.29 -42.5 0 3 -1 52 192.169 1
Mid Mid (pH 6-8) 0.77 0.29 -42.51 0 3 -1 52 192.169 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 97 - 99 Enamine Building Blocks
MP 97...99 Enamine Building Blocks

Activity (Go SEA)

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