UCSF

ZINC52983272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 19 Yes

Other Names:

MFCD17088315

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) 2.48 7.63 -50.45 0 5 -1 62 266.317 8
Lo Low (pH 4.5-6) 2.48 5.64 -5.91 1 5 0 59 267.325 8

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% )