UCSF

ZINC31992600

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 Yes

Other Names:

MFCD11894458

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) -0.79 0.09 -34.07 3 4 1 43 200.306 3
Mid Mid (pH 6-8) -0.79 0.15 -100.2 4 4 2 45 201.314 3
Mid Mid (pH 6-8) -0.79 -2.09 -44.6 3 4 1 43 200.306 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% )