UCSF

ZINC19976911

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 16 Yes

Other Names:

MFCD10011188

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) 0.47 1.83 -40.53 3 4 1 49 226.344 3
Hi High (pH 8-9.5) 0.47 0.48 -7.41 2 4 0 44 225.336 3
Lo Low (pH 4.5-6) 0.47 3.86 -110.22 4 4 2 50 227.352 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% )

No pre-computed analogs available. Try a structural similarity search.