UCSF

ZINC19959443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 Yes

Other Names:

MFCD14705864

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) 1.81 3.58 -41.43 3 3 1 40 235.351 5
Hi High (pH 8-9.5) 1.81 4.36 -61.61 2 3 0 43 234.343 5
Mid Mid (pH 6-8) 1.81 5.09 -33.17 3 3 1 37 235.351 5
Lo Low (pH 4.5-6) 1.81 5.92 -118.91 4 3 2 41 236.359 5

Vendor Notes

Note Type Comments Provided By
MP 198 - 200 Enamine Building Blocks
MP 198...200 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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