UCSF

ZINC42544039

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 15 Yes

Other Names:

MFCD14671481

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) 2.21 4.82 -36.76 2 2 1 20 205.325 3
Hi High (pH 8-9.5) 2.21 3.93 -1.62 1 2 0 15 204.317 3
Hi High (pH 8-9.5) 2.21 6.32 -34.06 2 2 1 16 205.325 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.