UCSF

ZINC45628344

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 Yes

Other Names:

MFCD16147151

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) 3.36 6.79 -7.36 2 3 0 44 256.136 1
Mid Mid (pH 6-8) 3.36 6.86 -27.81 3 3 1 45 257.144 1

Vendor Notes

Note Type Comments Provided By
MP 156 - 158 Enamine Building Blocks
MP 156...158 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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