UCSF

ZINC19773226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 13 Yes

Other Names:

MFCD11604842

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) 0.09 1.9 -85.73 5 4 2 60 180.255 1
Hi High (pH 8-9.5) 0.09 0.13 -5.33 3 4 0 54 178.239 1
Hi High (pH 8-9.5) 0.09 0.6 -27.67 4 4 1 55 179.247 1
Mid Mid (pH 6-8) 0.09 1.43 -44.6 4 4 1 59 179.247 1

Vendor Notes

Note Type Comments Provided By
MP 162 - 164 Enamine Building Blocks
MP 162...164 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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