UCSF

ZINC40994227

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 17 Yes

Other Names:

MFCD13332425

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) 3.81 7.19 -40.19 2 2 1 29 247.387 3
Hi High (pH 8-9.5) 3.81 5.92 -5.87 1 2 0 25 246.379 3

Vendor Notes

Note Type Comments Provided By
MP 77 - 79 Enamine Building Blocks
MP 77...79 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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