UCSF

ZINC44481920

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 11 Yes

Other Names:

MFCD16108642

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) 0.91 2.36 -34.55 2 2 1 20 155.265 2
Hi High (pH 8-9.5) 0.91 1.43 -1.3 1 2 0 15 154.257 2
Mid Mid (pH 6-8) 0.91 3.97 -31.66 2 2 1 16 155.265 2
Lo Low (pH 4.5-6) 0.91 5.05 -102.29 3 2 2 21 156.273 2

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% )