UCSF

ZINC57217718

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2011 14 Yes

Other Names:

MFCD17167115

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) 1.24 4.42 -82.81 4 3 2 43 193.294 3
Hi High (pH 8-9.5) 1.24 3.97 -42.93 3 3 1 42 192.286 3

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% )