UCSF

ZINC19688671

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 15 Yes

Other Names:

MFCD11586674

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) 0.73 3.96 -85.92 3 3 2 24 213.369 2
Hi High (pH 8-9.5) 0.73 1.71 -40.39 2 3 1 23 212.361 2
Mid Mid (pH 6-8) 0.73 2.56 -32.88 2 3 1 20 212.361 2
Mid Mid (pH 6-8) 0.73 3.97 -101.66 3 3 2 24 213.369 2

Vendor Notes

Note Type Comments Provided By
MP 49 - 51 Enamine Building Blocks
MP 49...51 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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