UCSF

ZINC05670934

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 16 Yes

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) 4.61 -0.12 -49.3 0 2 -1 40 272.132 2

Vendor Notes

Note Type Comments Provided By
melting_point 253 - 254 KeyOrganics
MP 253 - 255 Enamine Building Blocks
MP 253...255 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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