UCSF

ZINC11803917

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 14 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) 2.67 0.46 -48.28 0 3 -1 49 258.091 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 114-116? Alfa-Aesar
Melting_Point 114-116° Alfa-Aesar
MP 116 - 118 Enamine Building Blocks
MP 116...118 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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