UCSF

ZINC19960738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 13 Yes

Other Names:

MFCD11146504

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) 2.10 4.99 -31.46 2 2 1 20 185.335 5
Hi High (pH 8-9.5) 2.10 5.73 -28.19 2 2 1 16 185.335 5
Mid Mid (pH 6-8) 2.10 7.16 -107.06 3 2 2 21 186.343 5

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.