UCSF

ZINC38343280

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 15 Yes

Other Names:

MFCD00137929

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) 2.03 5.31 -10.33 0 3 0 50 215.643 1
Lo Low (pH 4.5-6) 2.03 5.76 -45.54 1 3 1 51 216.651 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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