UCSF

ZINC31978830

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 Yes

Other Names:

MFCD11890918

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) 1.01 1.02 -10.67 2 4 0 55 177.207 1
Lo Low (pH 4.5-6) 1.01 1.85 -26.1 3 4 1 57 178.215 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% )