UCSF

ZINC39947667

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 18 Yes

Other Names:

MFCD05189293

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) 2.81 9.08 -112.58 3 2 2 21 246.398 3
Hi High (pH 8-9.5) 2.81 8.06 -29.82 2 2 1 16 245.39 3
Mid Mid (pH 6-8) 2.81 7 -36.44 2 2 1 20 245.39 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% )