UCSF

ZINC01397430

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 19 Yes

Other Names:

MFCD00172392

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) 1.58 2.69 -63.01 0 5 -1 70 270.19 3

Vendor Notes

Note Type Comments Provided By
melting_point 173 - 175 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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