UCSF

ZINC19959645

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 14 Yes

Other Names:

MFCD11146448

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) 2.29 7.29 -107.69 3 2 2 21 198.354 4
Mid Mid (pH 6-8) 2.29 4.96 -37.9 2 2 1 20 197.346 4

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% )