UCSF

ZINC42411566

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 15 Yes

Other Names:

MFCD14656527

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) 2.31 2.87 -38.51 3 3 1 46 275.166 5
Hi High (pH 8-9.5) 2.31 3.63 -32.76 2 3 0 49 274.158 5

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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