UCSF

ZINC42427591

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 14 Yes

Other Names:

MFCD16048095

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) 1.30 2.26 -44.95 3 2 1 31 211.251 4
Mid Mid (pH 6-8) 1.30 4.36 -96.44 4 2 2 32 212.259 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% )