UCSF

ZINC36667789

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 9 Yes

Other Names:

MFCD11651273

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) 0.99 4.09 -46.51 2 2 1 40 125.195 3
Hi High (pH 8-9.5) 0.99 2.93 -4.8 1 2 0 36 124.187 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.